methyl 4-chloro-3-hydroxybenzoate

C8H7ClO3 — CID 11819787

IUPACmethyl 4-chloro-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChIKeyJTYWGSFSTNIJTA-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.83
Rot. Bonds1

About methyl 4-chloro-3-hydroxybenzoate

methyl 4-chloro-3-hydroxybenzoate (PubChem CID 11819787) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is methyl 4-chloro-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-hydroxybenzoate
PubChem CID11819787
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Namemethyl 4-chloro-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChIKeyJTYWGSFSTNIJTA-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-methoxycarbonylphenyl)-hydroxyazanium
CID 144877713
methyl 3-hydroxy-4-[(2-hydroxy-4-methoxycarbonylphenyl)disulfanyl]benzoate
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methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
zinc methyl 3-hydroxy-4-sulfanylbenzoate
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methyl 2-chloro-1H-indole-5-carboxylate
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methyl 4-chloro-3-chlorosulfonylbenzoate
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methyl 4-chloro-3-(dibromomethyl)benzoate
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methyl 3-azido-4-chlorobenzoate
CID 71512911
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
methyl 3-chloro-4-chlorosulfanylbenzoate
CID 142417308
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
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methyl 4-(3,4-dichlorophenyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-hydroxybenzoate?
The IUPAC name of methyl 4-chloro-3-hydroxybenzoate (CID 11819787) is methyl 4-chloro-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-chloro-3-hydroxybenzoate?
The canonical SMILES for methyl 4-chloro-3-hydroxybenzoate is COC(=O)c1ccc(Cl)c(O)c1.
What is the InChIKey of methyl 4-chloro-3-hydroxybenzoate?
The InChIKey is JTYWGSFSTNIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3.
What are the key properties of methyl 4-chloro-3-hydroxybenzoate?
methyl 4-chloro-3-hydroxybenzoate has a molecular weight of 186.59 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-hydroxybenzoate is sourced from PubChem (CID 11819787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).