2-(3-chloro-2-methoxycarbonylphenyl)acetic acid

C10H9ClO4 — CID 91882394

IUPAC2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1c(Cl)cccc1CC(=O)O
InChIInChI=1S/C10H9ClO4/c1-15-10(14)9-6(5-8(12)13)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySYNBOZMMLVOJKR-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid

2-(3-chloro-2-methoxycarbonylphenyl)acetic acid (PubChem CID 91882394) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
PubChem CID91882394
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1c(Cl)cccc1CC(=O)O
InChIInChI=1S/C10H9ClO4/c1-15-10(14)9-6(5-8(12)13)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySYNBOZMMLVOJKR-UHFFFAOYSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-chloro-6-(3-chloro-2-oxopropyl)benzoate
CID 134649062
methyl 2-chloro-6-(3-chloropropyl)benzoate
CID 134649012
2,6-dichlorobenzoic acid;methyl 2,6-dichlorobenzoate;molecular hydrogen
CID 159853083
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 2-chloro-6-prop-1-en-2-ylbenzoate
CID 129080595
methyl 2-chloro-6-hydrazinylbenzoate
CID 67291363
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
2-chloro-6-(2-oxobutyl)benzoic acid
CID 123235479
methyl 2-(3-bromopropanoyl)-6-chlorobenzoate
CID 134648924
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid (CID 91882394) is 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid is COC(=O)c1c(Cl)cccc1CC(=O)O.
What is the InChIKey of 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid?
The InChIKey is SYNBOZMMLVOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-15-10(14)9-6(5-8(12)13)3-2-4-7(9)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid?
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 91882394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).