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

C9H9ClO3 — CID 11820124

IUPACmethyl 2-chloro-4-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(O)c(C)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-7(11)4-3-6(8(5)10)9(12)13-2/h3-4,11H,1-2H3
InChIKeyOMGAVVGZUHDYAK-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.14
Rot. Bonds1

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

methyl 2-chloro-4-hydroxy-3-methylbenzoate (PubChem CID 11820124) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 2-chloro-4-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-hydroxy-3-methylbenzoate
PubChem CID11820124
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namemethyl 2-chloro-4-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(O)c(C)c1Cl
InChIInChI=1S/C9H9ClO3/c1-5-7(11)4-3-6(8(5)10)9(12)13-2/h3-4,11H,1-2H3
InChIKeyOMGAVVGZUHDYAK-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 2-amino-4-hydroxy-3-methylbenzoate
CID 131285630
methyl 2-chloro-4-cyano-3-methylbenzoate
CID 130064485
methyl 2-chloro-3-methyl-4-methylsulfinylbenzoate
CID 166066780
methyl 2-chloro-3-methyl-4-propan-2-yloxybenzoate
CID 164895514
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 2,3-dichloro-4-iodobenzoate
CID 134104394
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 4-hydroxy-2-methyl-3-nitrobenzoate
CID 141461433
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-hydroxy-3-methylbenzoate?
The IUPAC name of methyl 2-chloro-4-hydroxy-3-methylbenzoate (CID 11820124) is methyl 2-chloro-4-hydroxy-3-methylbenzoate.
What is the SMILES notation for methyl 2-chloro-4-hydroxy-3-methylbenzoate?
The canonical SMILES for methyl 2-chloro-4-hydroxy-3-methylbenzoate is COC(=O)c1ccc(O)c(C)c1Cl.
What is the InChIKey of methyl 2-chloro-4-hydroxy-3-methylbenzoate?
The InChIKey is OMGAVVGZUHDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-5-7(11)4-3-6(8(5)10)9(12)13-2/h3-4,11H,1-2H3.
What are the key properties of methyl 2-chloro-4-hydroxy-3-methylbenzoate?
methyl 2-chloro-4-hydroxy-3-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 2-chloro-4-hydroxy-3-methylbenzoate is sourced from PubChem (CID 11820124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).