2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid

C11H13ClO3 — CID 84792430

IUPAC2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(O)c(Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-3-7(11(14)15)8-5-10(13)9(12)4-6(8)2/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyVUOFLDYWNWOZEE-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid

2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid (PubChem CID 84792430) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid
PubChem CID84792430
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(O)c(Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-3-7(11(14)15)8-5-10(13)9(12)4-6(8)2/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyVUOFLDYWNWOZEE-UHFFFAOYSA-N
XLogP2.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butanoic acid
CID 84801808
2-(3-chloro-2,4-dihydroxy-5-methylphenyl)butanoic acid
CID 84802674
2-(4-chloro-3-hydroxy-2,5-dimethylphenyl)butanoic acid
CID 84801805
2-chloro-4-methyl-5-propan-2-ylphenol
CID 154092490
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
CID 84800690
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl)butanoic acid
CID 70410449
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
2-[3-chloro-2-(methylamino)phenyl]butanoic acid
CID 145408218
2-(4-bromo-3,5-dimethylphenyl)butanoic acid
CID 84809315

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid?
The IUPAC name of 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid (CID 84792430) is 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid.
What is the SMILES notation for 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid?
The canonical SMILES for 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid is CCC(C(=O)O)c1cc(O)c(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid?
The InChIKey is VUOFLDYWNWOZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-7(11(14)15)8-5-10(13)9(12)4-6(8)2/h4-5,7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid?
2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-hydroxy-2-methylphenyl)butanoic acid is sourced from PubChem (CID 84792430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).