methyl 3-chloro-2-hydroxy-4-methylbenzoate

C9H9ClO3 — CID 131421304

IUPACmethyl 3-chloro-2-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Cl)c1O
InChIInChI=1S/C9H9ClO3/c1-5-3-4-6(9(12)13-2)8(11)7(5)10/h3-4,11H,1-2H3
InChIKeyQXAOEWAPLALKDK-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.14
Rot. Bonds1

About methyl 3-chloro-2-hydroxy-4-methylbenzoate

methyl 3-chloro-2-hydroxy-4-methylbenzoate (PubChem CID 131421304) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 3-chloro-2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-hydroxy-4-methylbenzoate
PubChem CID131421304
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namemethyl 3-chloro-2-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Cl)c1O
InChIInChI=1S/C9H9ClO3/c1-5-3-4-6(9(12)13-2)8(11)7(5)10/h3-4,11H,1-2H3
InChIKeyQXAOEWAPLALKDK-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 3-hydroxy-2,4-dimethylbenzoate
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2-(3-chloro-2-hydroxy-4-methylphenyl)-2-oxoacetic acid
CID 117305820
methyl 3-chloro-2-ethoxy-4-methylbenzoate
CID 164896159
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
methyl 2-acetamido-3-hydroxy-4-methylbenzoate
CID 139590400
methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
CID 174640737
methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
CID 160734201
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 3-chloro-2-hydroxy-4-methylbenzoate (CID 131421304) is methyl 3-chloro-2-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-chloro-2-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 3-chloro-2-hydroxy-4-methylbenzoate is COC(=O)c1ccc(C)c(Cl)c1O.
What is the InChIKey of methyl 3-chloro-2-hydroxy-4-methylbenzoate?
The InChIKey is QXAOEWAPLALKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-3-4-6(9(12)13-2)8(11)7(5)10/h3-4,11H,1-2H3.
What are the key properties of methyl 3-chloro-2-hydroxy-4-methylbenzoate?
methyl 3-chloro-2-hydroxy-4-methylbenzoate has a molecular weight of 200.62 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 131421304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).