4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid

C10H9ClO3 — CID 141207283

IUPAC4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
SMILESC=CCc1c(C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C10H9ClO3/c1-2-3-6-7(10(13)14)4-5-8(11)9(6)12/h2,4-5,12H,1,3H2,(H,13,14)
InChIKeyGXOJHPUFUXGTAT-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid

4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid (PubChem CID 141207283) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
PubChem CID141207283
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
SMILESC=CCc1c(C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C10H9ClO3/c1-2-3-6-7(10(13)14)4-5-8(11)9(6)12/h2,4-5,12H,1,3H2,(H,13,14)
InChIKeyGXOJHPUFUXGTAT-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid
CID 90408616
3,5-dihydroxy-2-prop-2-enylterephthalic acid
CID 87696184
3,4-dichloro-2-ethenylbenzoic acid
CID 54092126
3-amino-2-prop-2-enylbenzoic acid
CID 66692931
3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911
3,4-bis(prop-2-enyl)phthalic acid;phthalic acid
CID 175060882
2-chloro-4-(4-prop-2-enylbenzoyl)oxybenzoic acid
CID 70566597
2-prop-2-enylbenzoic acid
CID 2752991
4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoic acid
CID 18950329
3,4-bis(prop-2-enyl)pyridine-2,5-dicarboxylic acid
CID 67587173
2-chloro-4-(prop-2-enylamino)benzoic acid
CID 62945583

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid?
The IUPAC name of 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid (CID 141207283) is 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid.
What is the SMILES notation for 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid?
The canonical SMILES for 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid is C=CCc1c(C(=O)O)ccc(Cl)c1O.
What is the InChIKey of 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid?
The InChIKey is GXOJHPUFUXGTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-2-3-6-7(10(13)14)4-5-8(11)9(6)12/h2,4-5,12H,1,3H2,(H,13,14).
What are the key properties of 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid?
4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid has a molecular weight of 212.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid is sourced from PubChem (CID 141207283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).