2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid

C15H10ClNO3 — CID 62496708

IUPAC2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C15H10ClNO3/c1-9-5-6-10(15(18)19)14(7-9)20-13-4-2-3-12(16)11(13)8-17/h2-7H,1H3,(H,18,19)
InChIKeySLJFNJINWJPFLD-UHFFFAOYSA-N
MW287.70 g/mol
LogP4.01
Rot. Bonds3

About 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid

2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid (PubChem CID 62496708) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
PubChem CID62496708
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C15H10ClNO3/c1-9-5-6-10(15(18)19)14(7-9)20-13-4-2-3-12(16)11(13)8-17/h2-7H,1H3,(H,18,19)
InChIKeySLJFNJINWJPFLD-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-fluorobenzoic acid
CID 107016561
2-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 63092790
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(2-cyano-5-methoxyphenoxy)-4-methylbenzoic acid
CID 81301510
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid (CID 62496708) is 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2cccc(Cl)c2C#N)c1.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid?
The InChIKey is SLJFNJINWJPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-9-5-6-10(15(18)19)14(7-9)20-13-4-2-3-12(16)11(13)8-17/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid?
2-(3-chloro-2-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-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 62496708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).