TL;DR: 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- (CAS 35550-94-8) is a chemical compound with molecular formula C11H14O and molecular weight 162.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Also Known As: 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, 1-benzosuberol, 6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-ol, Benzocycloheptene, 1-hydroxy-, 4435AB
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14O |
| Molecular Weight | 162.10446 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.10446 Da |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
| SMILES | C1CCC2=CC=CC=C2C(C1)O |
| InChIKey | ZBNIQZCMPPVSKL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-. With a topological polar surface area (TPSA) of 20.2 Ų, 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- is 35550-94-8.
The molecular formula of 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- is C11H14O.
The molecular weight of 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro- is 162.10446 g/mol.
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