5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid

C12H14O4 — CID 82264606

IUPAC5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
SMILESCc1cc(O)ccc1C(=O)CCCC(=O)O
InChIInChI=1S/C12H14O4/c1-8-7-9(13)5-6-10(8)11(14)3-2-4-12(15)16/h5-7,13H,2-4H2,1H3,(H,15,16)
InChIKeyKGLPFPMBMSYBGD-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.14
Rot. Bonds5

About 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid

5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid (PubChem CID 82264606) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
PubChem CID82264606
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
SMILESCc1cc(O)ccc1C(=O)CCCC(=O)O
InChIInChI=1S/C12H14O4/c1-8-7-9(13)5-6-10(8)11(14)3-2-4-12(15)16/h5-7,13H,2-4H2,1H3,(H,15,16)
InChIKeyKGLPFPMBMSYBGD-UHFFFAOYSA-N
XLogP2.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic 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

5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
5-(4-hydroxyphenyl)-5-oxopentanoic acid
CID 58253057
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
5-(4-chloro-3,5-dimethylphenyl)-5-oxopentanoic acid
CID 91657626
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
4-[(4-decanoyl-3-methylphenyl)methylamino]butanoic acid
CID 10215614

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid (CID 82264606) is 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid is Cc1cc(O)ccc1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid?
The InChIKey is KGLPFPMBMSYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8-7-9(13)5-6-10(8)11(14)3-2-4-12(15)16/h5-7,13H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid?
5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82264606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).