2-(2-chloro-6-hydroxyphenyl)propanoic acid

C9H9ClO3 — CID 84733802

IUPAC2-(2-chloro-6-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1c(O)cccc1Cl
InChIInChI=1S/C9H9ClO3/c1-5(9(12)13)8-6(10)3-2-4-7(8)11/h2-5,11H,1H3,(H,12,13)
InChIKeyMQYKPRPEJSQAMI-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-chloro-6-hydroxyphenyl)propanoic acid

2-(2-chloro-6-hydroxyphenyl)propanoic acid (PubChem CID 84733802) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-chloro-6-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-6-hydroxyphenyl)propanoic acid
PubChem CID84733802
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(2-chloro-6-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1c(O)cccc1Cl
InChIInChI=1S/C9H9ClO3/c1-5(9(12)13)8-6(10)3-2-4-7(8)11/h2-5,11H,1H3,(H,12,13)
InChIKeyMQYKPRPEJSQAMI-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
CID 122398641
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
3-chloro-2-(1-fluoroethyl)benzoic acid
CID 84671086
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
CID 117279696
(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
CID 63703488

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(2-chloro-6-hydroxyphenyl)propanoic acid (CID 84733802) is 2-(2-chloro-6-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-chloro-6-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-chloro-6-hydroxyphenyl)propanoic acid is CC(C(=O)O)c1c(O)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-hydroxyphenyl)propanoic acid?
The InChIKey is MQYKPRPEJSQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5(9(12)13)8-6(10)3-2-4-7(8)11/h2-5,11H,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-6-hydroxyphenyl)propanoic acid?
2-(2-chloro-6-hydroxyphenyl)propanoic acid has a molecular weight of 200.62 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84733802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).