4-(3,4-dimethylphenyl)pentane-1,2-diol

C13H20O2 — CID 83927966

IUPAC4-(3,4-dimethylphenyl)pentane-1,2-diol
SMILESCc1ccc(C(C)CC(O)CO)cc1C
InChIInChI=1S/C13H20O2/c1-9-4-5-12(6-10(9)2)11(3)7-13(15)8-14/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyDNZFRXYNUONZGI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds4

About 4-(3,4-dimethylphenyl)pentane-1,2-diol

4-(3,4-dimethylphenyl)pentane-1,2-diol (PubChem CID 83927966) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)pentane-1,2-diol
PubChem CID83927966
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(3,4-dimethylphenyl)pentane-1,2-diol
SMILESCc1ccc(C(C)CC(O)CO)cc1C
InChIInChI=1S/C13H20O2/c1-9-4-5-12(6-10(9)2)11(3)7-13(15)8-14/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyDNZFRXYNUONZGI-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylphenyl)pentane-1,2-diol 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-(4-chloro-3-methylphenyl)pentane-1,2-diol
CID 83937440
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
4-(3,4-dichlorophenyl)pentane-1,2-diol
CID 83931310
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
2-(3,4-dimethylphenyl)-2-hydroperoxyethanol
CID 134856299
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
4-(3-fluoro-4-methylphenyl)pentan-2-ol
CID 107129476
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)pentane-1,2-diol?
The IUPAC name of 4-(3,4-dimethylphenyl)pentane-1,2-diol (CID 83927966) is 4-(3,4-dimethylphenyl)pentane-1,2-diol.
What is the SMILES notation for 4-(3,4-dimethylphenyl)pentane-1,2-diol?
The canonical SMILES for 4-(3,4-dimethylphenyl)pentane-1,2-diol is Cc1ccc(C(C)CC(O)CO)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)pentane-1,2-diol?
The InChIKey is DNZFRXYNUONZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-4-5-12(6-10(9)2)11(3)7-13(15)8-14/h4-6,11,13-15H,7-8H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)pentane-1,2-diol?
4-(3,4-dimethylphenyl)pentane-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)pentane-1,2-diol is sourced from PubChem (CID 83927966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).