3-(3-methylphenyl)pentan-2-ol

C12H18O — CID 130543430

IUPAC3-(3-methylphenyl)pentan-2-ol
SMILESCCC(c1cccc(C)c1)C(C)O
InChIInChI=1S/C12H18O/c1-4-12(10(3)13)11-7-5-6-9(2)8-11/h5-8,10,12-13H,4H2,1-3H3
InChIKeyAUJCDASIEITFLB-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.87
Rot. Bonds3

About 3-(3-methylphenyl)pentan-2-ol

3-(3-methylphenyl)pentan-2-ol (PubChem CID 130543430) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(3-methylphenyl)pentan-2-ol
PubChem CID130543430
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-(3-methylphenyl)pentan-2-ol
SMILESCCC(c1cccc(C)c1)C(C)O
InChIInChI=1S/C12H18O/c1-4-12(10(3)13)11-7-5-6-9(2)8-11/h5-8,10,12-13H,4H2,1-3H3
InChIKeyAUJCDASIEITFLB-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylphenyl)pentan-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

4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
(2S)-3-phenylpentan-2-ol
CID 45048673
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
1-(1-bromo-3-methylbutan-2-yl)-3-methylbenzene
CID 79019345
2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
2-(3-methylphenyl)propan-1-ol
CID 21478686
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
N-ethyl-3-methyl-2-(3-methylphenyl)butan-1-amine
CID 66244260
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)pentan-2-ol?
The IUPAC name of 3-(3-methylphenyl)pentan-2-ol (CID 130543430) is 3-(3-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-(3-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-(3-methylphenyl)pentan-2-ol is CCC(c1cccc(C)c1)C(C)O.
What is the InChIKey of 3-(3-methylphenyl)pentan-2-ol?
The InChIKey is AUJCDASIEITFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-12(10(3)13)11-7-5-6-9(2)8-11/h5-8,10,12-13H,4H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)pentan-2-ol?
3-(3-methylphenyl)pentan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 130543430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).