methyl 3-chloro-5-hydroxy-4-methylbenzoate

C9H9ClO3 — CID 10241910

IUPACmethyl 3-chloro-5-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(O)c(C)c(Cl)c1
InChIInChI=1S/C9H9ClO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChIKeyNWFZDTNXHPBQNP-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.14
Rot. Bonds1

About methyl 3-chloro-5-hydroxy-4-methylbenzoate

methyl 3-chloro-5-hydroxy-4-methylbenzoate (PubChem CID 10241910) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 3-chloro-5-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-hydroxy-4-methylbenzoate
PubChem CID10241910
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namemethyl 3-chloro-5-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(O)c(C)c(Cl)c1
InChIInChI=1S/C9H9ClO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChIKeyNWFZDTNXHPBQNP-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-fluoro-5-hydroxy-4-methylbenzoate
CID 55265589
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 4-tert-butyl-3,5-dichlorobenzoate
CID 175520763
methyl 4-chloro-7,8-dimethylnaphthalene-2-carboxylate
CID 90487780
methane;methyl 3-chloro-4-hydroxy-5-propan-2-yloxybenzoate;methyl 3-chloro-4-methyl-5-propan-2-yloxybenzoate;molecular hydrogen
CID 158612185
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
CID 156828758
[5-[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,5-dihydroxy-4-methylbenzoate;methyl 3,4-dihydroxy-5-methylbenzoate
CID 160831420
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
methyl 3,5-dichloro-4-nitrobenzoate
CID 131863205

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 3-chloro-5-hydroxy-4-methylbenzoate (CID 10241910) is methyl 3-chloro-5-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-chloro-5-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 3-chloro-5-hydroxy-4-methylbenzoate is COC(=O)c1cc(O)c(C)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-5-hydroxy-4-methylbenzoate?
The InChIKey is NWFZDTNXHPBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3.
What are the key properties of methyl 3-chloro-5-hydroxy-4-methylbenzoate?
methyl 3-chloro-5-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-5-hydroxy-4-methylbenzoate is sourced from PubChem (CID 10241910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).