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

C11H10ClNO2 — CID 118811192

IUPAC2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
SMILESCCc1cc(CC(=O)O)c(C#N)cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-2-7-3-8(5-11(14)15)9(6-13)4-10(7)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMRKBNMFYNWPRIB-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.40
Rot. Bonds3

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

2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid (PubChem CID 118811192) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
PubChem CID118811192
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
SMILESCCc1cc(CC(=O)O)c(C#N)cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-2-7-3-8(5-11(14)15)9(6-13)4-10(7)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMRKBNMFYNWPRIB-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-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
CID 131410900
2-(4-amino-5-chloro-2-cyanophenyl)acetic acid
CID 171021426
ethyl 2-[4-chloro-5-(chloromethyl)-2-cyanophenyl]acetate
CID 134653053
2-(5-cyano-4-ethyl-2-formylphenyl)acetic acid
CID 134615313
2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
CID 119022246
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
5-(aminomethyl)-2-chloro-4-cyanobenzoic acid
CID 131027958
5-cyano-4-ethyl-2-methylbenzoic acid
CID 130892603
2-(2-cyano-4-methyl-5-sulfanylphenyl)acetic acid
CID 118995037
2-bromo-5-cyano-4-ethylbenzoic acid
CID 119006818
2-ethyl-4,5-dimethylbenzonitrile
CID 18728392
methyl 2-(4-chloro-2-cyano-5-sulfanylphenyl)acetate
CID 134640305

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid?
The IUPAC name of 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid (CID 118811192) is 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid is CCc1cc(CC(=O)O)c(C#N)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid?
The InChIKey is MRKBNMFYNWPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-7-3-8(5-11(14)15)9(6-13)4-10(7)12/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid?
2-(4-chloro-2-cyano-5-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-(4-chloro-2-cyano-5-ethylphenyl)acetic acid is sourced from PubChem (CID 118811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).