5-chloro-2-ethenyl-4-methylbenzoic acid

C10H9ClO2 — CID 130591320

IUPAC5-chloro-2-ethenyl-4-methylbenzoic acid
SMILESC=Cc1cc(C)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H9ClO2/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h3-5H,1H2,2H3,(H,12,13)
InChIKeyWXRSPZVZWRJYRH-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.99
Rot. Bonds2

About 5-chloro-2-ethenyl-4-methylbenzoic acid

5-chloro-2-ethenyl-4-methylbenzoic acid (PubChem CID 130591320) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 5-chloro-2-ethenyl-4-methylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2-ethenyl-4-methylbenzoic acid
PubChem CID130591320
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name5-chloro-2-ethenyl-4-methylbenzoic acid
SMILESC=Cc1cc(C)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H9ClO2/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h3-5H,1H2,2H3,(H,12,13)
InChIKeyWXRSPZVZWRJYRH-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-5-methylbenzoic acid;ethane
CID 145266813
sodium 2-carboxy-4-chloro-5-methylbenzoate
CID 169225016
2-chloro-5-prop-1-enylterephthalic acid
CID 172799910
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
2-ethenylterephthalic acid
CID 21087698
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
5-(chloromethyl)-2-ethenylbenzoic acid
CID 154366657
5-chloro-2,4-dimethylbenzamide
CID 82551019
2-ethenyl-4-iodobenzoic acid
CID 147251599
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylbut-2-en-1-one
CID 130551291
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethenyl-4-methylbenzoic acid?
The IUPAC name of 5-chloro-2-ethenyl-4-methylbenzoic acid (CID 130591320) is 5-chloro-2-ethenyl-4-methylbenzoic acid.
What is the SMILES notation for 5-chloro-2-ethenyl-4-methylbenzoic acid?
The canonical SMILES for 5-chloro-2-ethenyl-4-methylbenzoic acid is C=Cc1cc(C)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-ethenyl-4-methylbenzoic acid?
The InChIKey is WXRSPZVZWRJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-3-7-4-6(2)9(11)5-8(7)10(12)13/h3-5H,1H2,2H3,(H,12,13).
What are the key properties of 5-chloro-2-ethenyl-4-methylbenzoic acid?
5-chloro-2-ethenyl-4-methylbenzoic acid has a molecular weight of 196.63 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethenyl-4-methylbenzoic acid is sourced from PubChem (CID 130591320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).