3-methyl-3-phenylpentane-1,5-diol

C12H18O2 — CID 3019682

IUPAC3-methyl-3-phenylpentane-1,5-diol
SMILESCC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyQIGUSNIFPVCARD-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.71
Rot. Bonds5

About 3-methyl-3-phenylpentane-1,5-diol

3-methyl-3-phenylpentane-1,5-diol (PubChem CID 3019682) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-3-phenylpentane-1,5-diol.

Molecular Properties

Compound Name3-methyl-3-phenylpentane-1,5-diol
PubChem CID3019682
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-3-phenylpentane-1,5-diol
SMILESCC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyQIGUSNIFPVCARD-UHFFFAOYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-phenylpentane-1,5-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

1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
3,13-dimethyl-3,13-diphenylpentadecane-1,8,15-triol
CID 59660113
3,15-dimethyl-3,15-diphenylheptadecane-1,9,17-triol
CID 59660095
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
4-methyl-4-phenylheptan-1-ol
CID 90978334
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
3-phenyl-3-trimethylsilylbutan-1-ol
CID 15889374
16-methoxy-3,15-dimethyl-3,15-diphenylhexadecane-1,9-diol
CID 70661516
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
4-hydroxy-2-methyl-1,2-diphenylbutan-1-one
CID 172768651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylpentane-1,5-diol?
The IUPAC name of 3-methyl-3-phenylpentane-1,5-diol (CID 3019682) is 3-methyl-3-phenylpentane-1,5-diol.
What is the SMILES notation for 3-methyl-3-phenylpentane-1,5-diol?
The canonical SMILES for 3-methyl-3-phenylpentane-1,5-diol is CC(CCO)(CCO)c1ccccc1.
What is the InChIKey of 3-methyl-3-phenylpentane-1,5-diol?
The InChIKey is QIGUSNIFPVCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3.
What are the key properties of 3-methyl-3-phenylpentane-1,5-diol?
3-methyl-3-phenylpentane-1,5-diol has a molecular weight of 194.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylpentane-1,5-diol is sourced from PubChem (CID 3019682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).