4-chloro-2-methylbenzoic acid;ethane

C10H13ClO2 — CID 145482472

IUPAC4-chloro-2-methylbenzoic acid;ethane
SMILESCC.Cc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H7ClO2.C2H6/c1-5-4-6(9)2-3-7(5)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyXTJHXHQGIMOPGH-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.37
Rot. Bonds1

About 4-chloro-2-methylbenzoic acid;ethane

4-chloro-2-methylbenzoic acid;ethane (PubChem CID 145482472) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 4-chloro-2-methylbenzoic acid;ethane.

Molecular Properties

Compound Name4-chloro-2-methylbenzoic acid;ethane
PubChem CID145482472
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name4-chloro-2-methylbenzoic acid;ethane
SMILESCC.Cc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H7ClO2.C2H6/c1-5-4-6(9)2-3-7(5)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyXTJHXHQGIMOPGH-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chlorobenzoic acid;4-chloro-2-methylbenzoic acid;iodomethane
CID 160911863
4-chloro-5-iodo-2-methylbenzoic acid;4-chloro-2-methylbenzoic acid
CID 159879182
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
2-acetyl-5-chlorobenzoic acid
CID 11229391
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
4-(3-chlorophenyl)sulfanyl-2-methylbenzoic acid
CID 81294140
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
4-(4-chloro-2-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727274
2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylbenzoic acid;ethane?
The IUPAC name of 4-chloro-2-methylbenzoic acid;ethane (CID 145482472) is 4-chloro-2-methylbenzoic acid;ethane.
What is the SMILES notation for 4-chloro-2-methylbenzoic acid;ethane?
The canonical SMILES for 4-chloro-2-methylbenzoic acid;ethane is CC.Cc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-methylbenzoic acid;ethane?
The InChIKey is XTJHXHQGIMOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.C2H6/c1-5-4-6(9)2-3-7(5)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3.
What are the key properties of 4-chloro-2-methylbenzoic acid;ethane?
4-chloro-2-methylbenzoic acid;ethane has a molecular weight of 200.66 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylbenzoic acid;ethane is sourced from PubChem (CID 145482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).