1-(3-methoxycyclohexyl)propan-2-ol

C10H20O2 — CID 79424348

IUPAC1-(3-methoxycyclohexyl)propan-2-ol
SMILESCOC1CCCC(CC(C)O)C1
InChIInChI=1S/C10H20O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h8-11H,3-7H2,1-2H3
InChIKeyQXKHWAQFEWAGPP-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-methoxycyclohexyl)propan-2-ol

1-(3-methoxycyclohexyl)propan-2-ol (PubChem CID 79424348) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)propan-2-ol
PubChem CID79424348
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(3-methoxycyclohexyl)propan-2-ol
SMILESCOC1CCCC(CC(C)O)C1
InChIInChI=1S/C10H20O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h8-11H,3-7H2,1-2H3
InChIKeyQXKHWAQFEWAGPP-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxycyclohexyl)propan-2-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-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
(8S)-9-[(1S,3S)-3-methoxycyclohexyl]-4,8-dimethylnon-2-yn-5-one
CID 146586626
2-(3-methoxycyclohexyl)pentan-3-ol
CID 79436910
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
1-(isocyanatomethyl)-3-methoxycyclohexane
CID 86105282
1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane
CID 174907691
1-(5-methoxypyrrolidin-3-yl)propan-2-ol
CID 70400411
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
CID 98041349
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)propan-2-ol?
The IUPAC name of 1-(3-methoxycyclohexyl)propan-2-ol (CID 79424348) is 1-(3-methoxycyclohexyl)propan-2-ol.
What is the SMILES notation for 1-(3-methoxycyclohexyl)propan-2-ol?
The canonical SMILES for 1-(3-methoxycyclohexyl)propan-2-ol is COC1CCCC(CC(C)O)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)propan-2-ol?
The InChIKey is QXKHWAQFEWAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexyl)propan-2-ol?
1-(3-methoxycyclohexyl)propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)propan-2-ol is sourced from PubChem (CID 79424348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).