TL;DR: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one (CAS 156768-53-5) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one
Also Known As: CDS1_002650, J1.128.561I, 2-(4-Methoxybenzylidene)-6-isopropyl-3-methylcyclohexanone, (Z)-6-isopropyl-2-(4-methoxybenzylidene)-3-methylcyclohexanone, (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one
| Molecular Formula | C18H24O2 |
| Molecular Weight | 272.17764 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.17764 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | CC\1CCC(C(=O)/C1=C\C2=CC=C(C=C2)OC)C(C)C |
| InChIKey | QSTJFIAMUAVWAO-BOPFTXTBSA-N |
The XLogP value of 4.7 indicates that (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one is 156768-53-5.
The molecular formula of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one is C18H24O2.
The molecular weight of (2Z)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one is 272.17764 g/mol.
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