3-hydroxy-3-(4-methylphenyl)pentanoic acid

C12H16O3 — CID 62395934

IUPAC3-hydroxy-3-(4-methylphenyl)pentanoic acid
SMILESCCC(O)(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H16O3/c1-3-12(15,8-11(13)14)10-6-4-9(2)5-7-10/h4-7,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyZDFSEPPOKXNOBU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.07
Rot. Bonds4

About 3-hydroxy-3-(4-methylphenyl)pentanoic acid

3-hydroxy-3-(4-methylphenyl)pentanoic acid (PubChem CID 62395934) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methylphenyl)pentanoic acid
PubChem CID62395934
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-hydroxy-3-(4-methylphenyl)pentanoic acid
SMILESCCC(O)(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H16O3/c1-3-12(15,8-11(13)14)10-6-4-9(2)5-7-10/h4-7,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyZDFSEPPOKXNOBU-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-3-(4-methylphenyl)pentanoic acid 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

3-methyl-3-(4-methylphenyl)pentanedioic acid
CID 13396095
3-fluoro-3-(4-methylphenyl)butanoic acid
CID 83818698
3-(1,3-benzodioxol-5-yl)-3-hydroxypentanoic acid
CID 82049199
3-(3-bromo-4-methoxyphenyl)-3-hydroxypentanoic acid
CID 82050101
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
(3R)-3-(4-chlorophenyl)-3-hydroxypentanamide
CID 100919587
(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol
CID 102294157
4-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 66323409
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid
CID 83042975

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methylphenyl)pentanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methylphenyl)pentanoic acid (CID 62395934) is 3-hydroxy-3-(4-methylphenyl)pentanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methylphenyl)pentanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methylphenyl)pentanoic acid is CCC(O)(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methylphenyl)pentanoic acid?
The InChIKey is ZDFSEPPOKXNOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-12(15,8-11(13)14)10-6-4-9(2)5-7-10/h4-7,15H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 3-hydroxy-3-(4-methylphenyl)pentanoic acid?
3-hydroxy-3-(4-methylphenyl)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methylphenyl)pentanoic acid is sourced from PubChem (CID 62395934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).