2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid

C11H10ClNO2 — CID 131410900

IUPAC2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
SMILESCCc1cc(C#N)c(Cl)cc1CC(=O)O
InChIInChI=1S/C11H10ClNO2/c1-2-7-3-9(6-13)10(12)4-8(7)5-11(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeySHRXPAJHCGEQLW-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.40
Rot. Bonds3

About 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid

2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid (PubChem CID 131410900) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
PubChem CID131410900
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
SMILESCCc1cc(C#N)c(Cl)cc1CC(=O)O
InChIInChI=1S/C11H10ClNO2/c1-2-7-3-9(6-13)10(12)4-8(7)5-11(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeySHRXPAJHCGEQLW-UHFFFAOYSA-N
XLogP2.40
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
CID 118811192
methyl 5-chloro-4-cyano-2-ethylbenzoate
CID 134613450
2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
CID 119022246
2-(4-amino-5-chloro-2-cyanophenyl)acetic acid
CID 171021426
2-(5-cyano-4-ethyl-2-formylphenyl)acetic acid
CID 134615313
methyl 4-chloro-5-cyano-2-(hydroxymethyl)benzoate
CID 131393938
2-(4-bromo-5-cyano-2-hydroxyphenyl)acetic acid
CID 118804843
2-amino-4,5-diethylbenzonitrile
CID 91354331
2-(4-bromo-5-cyano-2-methoxyphenyl)acetic acid
CID 131321390
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
2-(5-cyano-2-iodo-4-methylphenyl)acetic acid
CID 130775404
2-[5-bromo-4-cyano-2-(hydroxymethyl)phenyl]acetic acid
CID 131551947

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid (CID 131410900) is 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid is CCc1cc(C#N)c(Cl)cc1CC(=O)O.
What is the InChIKey of 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid?
The InChIKey is SHRXPAJHCGEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-7-3-9(6-13)10(12)4-8(7)5-11(14)15/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid?
2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid has a molecular weight of 223.66 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid is sourced from PubChem (CID 131410900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).