2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol

C18H28O3 — CID 81134950

IUPAC2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1cccc(C(O)CC2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C18H28O3/c1-12(2)13-7-8-17(19)15(9-13)11-18(20)14-5-4-6-16(10-14)21-3/h4-6,10,12-13,15,17-20H,7-9,11H2,1-3H3
InChIKeyVJIIJXZXCIXFEV-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol

2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 81134950) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID81134950
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1cccc(C(O)CC2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C18H28O3/c1-12(2)13-7-8-17(19)15(9-13)11-18(20)14-5-4-6-16(10-14)21-3/h4-6,10,12-13,15,17-20H,7-9,11H2,1-3H3
InChIKeyVJIIJXZXCIXFEV-UHFFFAOYSA-N
XLogP3.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-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

(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834
[(3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232508
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
1-(3-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanol
CID 105117357
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol (CID 81134950) is 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol is COc1cccc(C(O)CC2CC(C(C)C)CCC2O)c1.
What is the InChIKey of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is VJIIJXZXCIXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-12(2)13-7-8-17(19)15(9-13)11-18(20)14-5-4-6-16(10-14)21-3/h4-6,10,12-13,15,17-20H,7-9,11H2,1-3H3.
What are the key properties of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol?
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 81134950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).