1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol

C17H26O2 — CID 65444720

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(CCC2(O)CCC(C)CC2C)cc1
InChIInChI=1S/C17H26O2/c1-13-8-10-17(18,14(2)12-13)11-9-15-4-6-16(19-3)7-5-15/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyIKMLZUDJMBXDQD-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol

1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol (PubChem CID 65444720) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
PubChem CID65444720
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(CCC2(O)CCC(C)CC2C)cc1
InChIInChI=1S/C17H26O2/c1-13-8-10-17(18,14(2)12-13)11-9-15-4-6-16(19-3)7-5-15/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyIKMLZUDJMBXDQD-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-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

1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
CID 79951268
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 79428861
1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 65444722
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698548
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
CID 65430450
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol (CID 65444720) is 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol is COc1ccc(CCC2(O)CCC(C)CC2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol?
The InChIKey is IKMLZUDJMBXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-8-10-17(18,14(2)12-13)11-9-15-4-6-16(19-3)7-5-15/h4-7,13-14,18H,8-12H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol?
1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65444720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).