3-(2,3-dimethylphenyl)pentan-3-ol

C13H20O — CID 62549371

IUPAC3-(2,3-dimethylphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-13(14,6-2)12-9-7-8-10(3)11(12)4/h7-9,14H,5-6H2,1-4H3
InChIKeyPJWNPNIZJXNAPY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.31
Rot. Bonds3

About 3-(2,3-dimethylphenyl)pentan-3-ol

3-(2,3-dimethylphenyl)pentan-3-ol (PubChem CID 62549371) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)pentan-3-ol
PubChem CID62549371
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-(2,3-dimethylphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-13(14,6-2)12-9-7-8-10(3)11(12)4/h7-9,14H,5-6H2,1-4H3
InChIKeyPJWNPNIZJXNAPY-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-dimethylphenyl)pentan-3-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

2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
acetyl 2,2-bis(2,3-dimethylphenyl)-2-hydroxyacetate
CID 54419247
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
CID 11631636
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)pentan-3-ol?
The IUPAC name of 3-(2,3-dimethylphenyl)pentan-3-ol (CID 62549371) is 3-(2,3-dimethylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(2,3-dimethylphenyl)pentan-3-ol?
The canonical SMILES for 3-(2,3-dimethylphenyl)pentan-3-ol is CCC(O)(CC)c1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)pentan-3-ol?
The InChIKey is PJWNPNIZJXNAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-13(14,6-2)12-9-7-8-10(3)11(12)4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-(2,3-dimethylphenyl)pentan-3-ol?
3-(2,3-dimethylphenyl)pentan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)pentan-3-ol is sourced from PubChem (CID 62549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).