3-(2,3-dichlorophenyl)-2-methylbenzoic acid

C14H10Cl2O2 — CID 53227646

IUPAC3-(2,3-dichlorophenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O2/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(15)13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyVQRMDYDUCSHZCA-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.67
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-2-methylbenzoic acid

3-(2,3-dichlorophenyl)-2-methylbenzoic acid (PubChem CID 53227646) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methylbenzoic acid
PubChem CID53227646
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name3-(2,3-dichlorophenyl)-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2O2/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(15)13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyVQRMDYDUCSHZCA-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
3-(3-carboxy-2-methylphenyl)-4-chlorophenolate
CID 86307301
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
CID 90271210
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084
2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405299
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
CID 70546030
3-carbonochloridoyl-2-methylbenzoic acid
CID 89389383

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methylbenzoic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methylbenzoic acid (CID 53227646) is 3-(2,3-dichlorophenyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methylbenzoic acid?
The InChIKey is VQRMDYDUCSHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-8-9(4-2-5-10(8)14(17)18)11-6-3-7-12(15)13(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(2,3-dichlorophenyl)-2-methylbenzoic acid?
3-(2,3-dichlorophenyl)-2-methylbenzoic acid has a molecular weight of 281.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methylbenzoic acid is sourced from PubChem (CID 53227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).