methyl 2-chloro-3-methoxybenzoate

C9H9ClO3 — CID 10262208

IUPACmethyl 2-chloro-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1Cl
InChIInChI=1S/C9H9ClO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3
InChIKeyALVQTYWDDKJEBE-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.14
Rot. Bonds2

About methyl 2-chloro-3-methoxybenzoate

methyl 2-chloro-3-methoxybenzoate (PubChem CID 10262208) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 2-chloro-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-methoxybenzoate
PubChem CID10262208
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Namemethyl 2-chloro-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1Cl
InChIInChI=1S/C9H9ClO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3
InChIKeyALVQTYWDDKJEBE-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(2,6-dimethoxybenzoyl)benzoate
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2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
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2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
methyl 2-(1-bromoethenyl)-3-methoxybenzoate
CID 101402168
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
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methyl 2-ethoxy-3-methoxybenzoate
CID 45094190

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-methoxybenzoate?
The IUPAC name of methyl 2-chloro-3-methoxybenzoate (CID 10262208) is methyl 2-chloro-3-methoxybenzoate.
What is the SMILES notation for methyl 2-chloro-3-methoxybenzoate?
The canonical SMILES for methyl 2-chloro-3-methoxybenzoate is COC(=O)c1cccc(OC)c1Cl.
What is the InChIKey of methyl 2-chloro-3-methoxybenzoate?
The InChIKey is ALVQTYWDDKJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3.
What are the key properties of methyl 2-chloro-3-methoxybenzoate?
methyl 2-chloro-3-methoxybenzoate has a molecular weight of 200.62 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-methoxybenzoate is sourced from PubChem (CID 10262208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).