3-(3-chloro-2-hydroxyphenyl)propanoic acid

C9H9ClO3 — CID 54416196

IUPAC3-(3-chloro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cccc(Cl)c1O
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,13H,4-5H2,(H,11,12)
InChIKeyVXOZFDUZVLUEGN-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-chloro-2-hydroxyphenyl)propanoic acid

3-(3-chloro-2-hydroxyphenyl)propanoic acid (PubChem CID 54416196) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-(3-chloro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-hydroxyphenyl)propanoic acid
PubChem CID54416196
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name3-(3-chloro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cccc(Cl)c1O
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,13H,4-5H2,(H,11,12)
InChIKeyVXOZFDUZVLUEGN-UHFFFAOYSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
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3-[3-hydroxy-2-(hydroxyamino)phenyl]propanoic acid
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CID 174356057
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-[2-(2-carboxyethyl)-3-phosphanylphenyl]propanoic acid
CID 22492834
5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
3-(2-carbonochloridoylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-2-hydroxyphenyl)propanoic acid (CID 54416196) is 3-(3-chloro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-2-hydroxyphenyl)propanoic acid is O=C(O)CCc1cccc(Cl)c1O.
What is the InChIKey of 3-(3-chloro-2-hydroxyphenyl)propanoic acid?
The InChIKey is VXOZFDUZVLUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,13H,4-5H2,(H,11,12).
What are the key properties of 3-(3-chloro-2-hydroxyphenyl)propanoic acid?
3-(3-chloro-2-hydroxyphenyl)propanoic acid has a molecular weight of 200.62 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 54416196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).