(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol

C16H24O3 — CID 82001110

IUPAC(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OC2CCCC(C)C2)c1
InChIInChI=1S/C16H24O3/c1-11-5-4-6-14(9-11)19-16-10-13(18-3)7-8-15(16)12(2)17/h7-8,10-12,14,17H,4-6,9H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyZLKDUFSMOSULEX-LXVYMNJGSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds4

About (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol

(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol (PubChem CID 82001110) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
PubChem CID82001110
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OC2CCCC(C)C2)c1
InChIInChI=1S/C16H24O3/c1-11-5-4-6-14(9-11)19-16-10-13(18-3)7-8-15(16)12(2)17/h7-8,10-12,14,17H,4-6,9H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyZLKDUFSMOSULEX-LXVYMNJGSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol 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-[4-methoxy-2-(4-methylcyclohexyl)oxyphenyl]ethanol
CID 82001479
[5-methoxy-2-(3-methylcyclohexyl)oxyphenyl]boronic acid
CID 104706054
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127988
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol (CID 82001110) is (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol is COc1ccc([C@H](C)O)c(OC2CCCC(C)C2)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is ZLKDUFSMOSULEX-LXVYMNJGSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-5-4-6-14(9-11)19-16-10-13(18-3)7-8-15(16)12(2)17/h7-8,10-12,14,17H,4-6,9H2,1-3H3/t11?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol?
(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 82001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).