2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol

C27H36O2 — CID 91023186

IUPAC2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
SMILESCOc1ccc2c(c1)CCCC(CCC1CCC(c3ccccc3)CC1)CC2O
InChIInChI=1S/C27H36O2/c1-29-25-16-17-26-24(19-25)9-5-6-21(18-27(26)28)11-10-20-12-14-23(15-13-20)22-7-3-2-4-8-22/h2-4,7-8,16-17,19-21,23,27-28H,5-6,9-15,18H2,1H3
InChIKeyXGASTUVPUMIWHS-UHFFFAOYSA-N
MW392.58 g/mol
LogP6.83
Rot. Bonds5

About 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol

2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol (PubChem CID 91023186) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol.

Molecular Properties

Compound Name2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
PubChem CID91023186
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
SMILESCOc1ccc2c(c1)CCCC(CCC1CCC(c3ccccc3)CC1)CC2O
InChIInChI=1S/C27H36O2/c1-29-25-16-17-26-24(19-25)9-5-6-21(18-27(26)28)11-10-20-12-14-23(15-13-20)22-7-3-2-4-8-22/h2-4,7-8,16-17,19-21,23,27-28H,5-6,9-15,18H2,1H3
InChIKeyXGASTUVPUMIWHS-UHFFFAOYSA-N
XLogP6.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129391570
N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide
CID 124639032
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The IUPAC name of 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol (CID 91023186) is 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol.
What is the SMILES notation for 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The canonical SMILES for 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol is COc1ccc2c(c1)CCCC(CCC1CCC(c3ccccc3)CC1)CC2O.
What is the InChIKey of 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
The InChIKey is XGASTUVPUMIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-29-25-16-17-26-24(19-25)9-5-6-21(18-27(26)28)11-10-20-12-14-23(15-13-20)22-7-3-2-4-8-22/h2-4,7-8,16-17,19-21,23,27-28H,5-6,9-15,18H2,1H3.
What are the key properties of 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol?
2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol has a molecular weight of 392.58 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-[2-(4-phenylcyclohexyl)ethyl]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol is sourced from PubChem (CID 91023186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).