3-(5-chloro-2-hydroxyphenyl)butanoic acid

C10H11ClO3 — CID 131360559

IUPAC3-(5-chloro-2-hydroxyphenyl)butanoic acid
SMILESCC(CC(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11ClO3/c1-6(4-10(13)14)8-5-7(11)2-3-9(8)12/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyDYOJYWAJQVTKNP-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.62
Rot. Bonds3

About 3-(5-chloro-2-hydroxyphenyl)butanoic acid

3-(5-chloro-2-hydroxyphenyl)butanoic acid (PubChem CID 131360559) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)butanoic acid
PubChem CID131360559
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(5-chloro-2-hydroxyphenyl)butanoic acid
SMILESCC(CC(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11ClO3/c1-6(4-10(13)14)8-5-7(11)2-3-9(8)12/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyDYOJYWAJQVTKNP-UHFFFAOYSA-N
XLogP2.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-3,4-difluorophenyl)butanoic acid
CID 84698120
3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
CID 82666719
3-(3-chloro-4-hydroxy-2-methoxyphenyl)butanoic acid
CID 84802667
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-(4-chloro-2,5-difluorophenyl)butanoic acid
CID 84797156
3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
CID 82366837
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950
3-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]butanoic acid
CID 65060942
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)butanoic acid (CID 131360559) is 3-(5-chloro-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)butanoic acid is CC(CC(=O)O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)butanoic acid?
The InChIKey is DYOJYWAJQVTKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(4-10(13)14)8-5-7(11)2-3-9(8)12/h2-3,5-6,12H,4H2,1H3,(H,13,14).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)butanoic acid?
3-(5-chloro-2-hydroxyphenyl)butanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 131360559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).