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

C15H10ClNO3 — CID 63092622

IUPAC2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClNO3/c1-9-3-2-4-11(15(18)19)14(9)20-13-6-5-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyYMZVBWMLUFVEPM-UHFFFAOYSA-N
MW287.70 g/mol
LogP4.01
Rot. Bonds3

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

2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid (PubChem CID 63092622) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid
PubChem CID63092622
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClNO3/c1-9-3-2-4-11(15(18)19)14(9)20-13-6-5-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19)
InChIKeyYMZVBWMLUFVEPM-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-(2-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 63092790
3-chloro-2-[(4-cyano-2-methylphenyl)methoxy]benzoic acid
CID 114482412
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
3-[(2-chloro-4-cyanophenyl)methoxy]-2-methylbenzoic acid
CID 102663377
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374
2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14820748
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
2-(2-iodo-4-nitrophenoxy)-3-methylbenzoic acid
CID 66093093
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
CID 115955877

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid (CID 63092622) is 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid?
The InChIKey is YMZVBWMLUFVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-9-3-2-4-11(15(18)19)14(9)20-13-6-5-10(8-17)7-12(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid?
2-(2-chloro-4-cyanophenoxy)-3-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)-3-methylbenzoic acid is sourced from PubChem (CID 63092622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).