2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid

C15H10ClNO3 — CID 63092790

IUPAC2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C15H10ClNO3/c1-9-2-4-11(15(18)19)14(6-9)20-13-5-3-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyAIRNXFPPTFXCSM-UHFFFAOYSA-N
MW287.70 g/mol
LogP4.01
Rot. Bonds3

About 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid

2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid (PubChem CID 63092790) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
PubChem CID63092790
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C15H10ClNO3/c1-9-2-4-11(15(18)19)14(6-9)20-13-5-3-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyAIRNXFPPTFXCSM-UHFFFAOYSA-N
XLogP4.01
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid
CID 63092622
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
2-(2-cyano-5-methoxyphenoxy)-4-methylbenzoic acid
CID 81301510
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-(2-chloro-5-nitrophenoxy)-4-methylbenzoic acid
CID 63991598
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid (CID 63092790) is 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid?
The InChIKey is AIRNXFPPTFXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-9-2-4-11(15(18)19)14(6-9)20-13-5-3-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid?
2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid has a molecular weight of 287.70 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 63092790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).