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

C9H9ClO3 — CID 22559906

IUPACmethyl 4-chloro-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(O)c1C
InChIInChI=1S/C9H9ClO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3
InChIKeyZGNRUDNXCMVACI-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.14
Rot. Bonds1

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

methyl 4-chloro-3-hydroxy-2-methylbenzoate (PubChem CID 22559906) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 4-chloro-3-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-hydroxy-2-methylbenzoate
PubChem CID22559906
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namemethyl 4-chloro-3-hydroxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(O)c1C
InChIInChI=1S/C9H9ClO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3
InChIKeyZGNRUDNXCMVACI-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

methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 4-amino-3-hydroxy-2-methylbenzoate;hydrochloride
CID 155973615
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
methyl 4-chloro-3-methyl-2-methylsulfanylbenzoate
CID 54088631
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 4-chloro-2,3-diiodobenzoate
CID 131027106
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-hydroxy-2-methylbenzoate?
The IUPAC name of methyl 4-chloro-3-hydroxy-2-methylbenzoate (CID 22559906) is methyl 4-chloro-3-hydroxy-2-methylbenzoate.
What is the SMILES notation for methyl 4-chloro-3-hydroxy-2-methylbenzoate?
The canonical SMILES for methyl 4-chloro-3-hydroxy-2-methylbenzoate is COC(=O)c1ccc(Cl)c(O)c1C.
What is the InChIKey of methyl 4-chloro-3-hydroxy-2-methylbenzoate?
The InChIKey is ZGNRUDNXCMVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3.
What are the key properties of methyl 4-chloro-3-hydroxy-2-methylbenzoate?
methyl 4-chloro-3-hydroxy-2-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 4-chloro-3-hydroxy-2-methylbenzoate is sourced from PubChem (CID 22559906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).