Bms-181156
4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Also Known As: Ch 80|1fcz|Ch-80|Ch 80, (E)-isomer|BMS 181156|SID:318495243|4-(3-Oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid|J1.423.892A|4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID|4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid|(E)-4-(3-Oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid|4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid|Benzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-|4-((1E)-3-OXO-3-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-1-PROPEN-1-YL)BENZOIC ACID|4-[3-Oxo-3-(1,1,4,4-tetramethyltetralin-6-yl)-1-propenyl]benzoic acid|BENZOIC ACID, 4-((1E)-3-OXO-3-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-1-PROPEN-1-YL)-|Benzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-|4-[(E)-3-Oxo-3-(1,1,4,4-tetramethyltetralin-6-yl)-1-propenyl]benzoic acid|4-((1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl)benzoic acid|4-(3-Oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl)benzoic acid|4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid|4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid|Benzoic acid, 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl]-
| Molecular Formula | C24H26O3 |
|---|---|
| Molecular Weight | 362.1882 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1882 |
| Monoisotopic Mass | 362.1882 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 110368-35-9 |
|---|---|
| SMILES | CC1(CCC(C2=C1C=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)(C)C)C |
| InChIKey | ZXQHMEUGMCXKLO-KPKJPENVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bms-181156 (CAS 110368-35-9), with molecular formula C24H26O3 and molecular weight 362.1882 g/mol. IUPAC: 4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid.
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