2,4-dichloro-5-methylbenzoic acid;ethane

C10H12Cl2O2 — CID 145266813

IUPAC2,4-dichloro-5-methylbenzoic acid;ethane
SMILESCC.Cc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O2.C2H6/c1-4-2-5(8(11)12)7(10)3-6(4)9;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyPSMLCUVYJSCEKK-UHFFFAOYSA-N
MW235.11 g/mol
LogP4.03
Rot. Bonds1

About 2,4-dichloro-5-methylbenzoic acid;ethane

2,4-dichloro-5-methylbenzoic acid;ethane (PubChem CID 145266813) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2,4-dichloro-5-methylbenzoic acid;ethane.

Molecular Properties

Compound Name2,4-dichloro-5-methylbenzoic acid;ethane
PubChem CID145266813
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2,4-dichloro-5-methylbenzoic acid;ethane
SMILESCC.Cc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O2.C2H6/c1-4-2-5(8(11)12)7(10)3-6(4)9;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeyPSMLCUVYJSCEKK-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium 2-carboxy-4-chloro-5-methylbenzoate
CID 169225016
2-chloro-4-methyl-5-sulfanylbenzoic acid
CID 106861695
2-chloro-4-fluoro-5-methylbenzoic acid;2-chloro-4-fluoro-5-methylbenzoyl chloride;oxalyl dichloride
CID 160658516
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320
2,4-dichloro-5-[(S)-methylsulfinyl]benzoic acid
CID 129405442
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
acetic acid;5-amino-2-chloro-4-fluorobenzoic acid;2-chloro-4-fluoro-5-methylbenzoic acid
CID 157068399
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylbenzoic acid;ethane?
The IUPAC name of 2,4-dichloro-5-methylbenzoic acid;ethane (CID 145266813) is 2,4-dichloro-5-methylbenzoic acid;ethane.
What is the SMILES notation for 2,4-dichloro-5-methylbenzoic acid;ethane?
The canonical SMILES for 2,4-dichloro-5-methylbenzoic acid;ethane is CC.Cc1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methylbenzoic acid;ethane?
The InChIKey is PSMLCUVYJSCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2.C2H6/c1-4-2-5(8(11)12)7(10)3-6(4)9;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of 2,4-dichloro-5-methylbenzoic acid;ethane?
2,4-dichloro-5-methylbenzoic acid;ethane has a molecular weight of 235.11 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methylbenzoic acid;ethane is sourced from PubChem (CID 145266813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).