2-cyano-5-(2,4-dichlorophenoxy)benzoic acid

C14H7Cl2NO3 — CID 57003483

IUPAC2-cyano-5-(2,4-dichlorophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H7Cl2NO3/c15-9-2-4-13(12(16)5-9)20-10-3-1-8(7-17)11(6-10)14(18)19/h1-6H,(H,18,19)
InChIKeyLCOAYGDPZAIPKF-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.36
Rot. Bonds3

About 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid

2-cyano-5-(2,4-dichlorophenoxy)benzoic acid (PubChem CID 57003483) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-cyano-5-(2,4-dichlorophenoxy)benzoic acid
PubChem CID57003483
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name2-cyano-5-(2,4-dichlorophenoxy)benzoic acid
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H7Cl2NO3/c15-9-2-4-13(12(16)5-9)20-10-3-1-8(7-17)11(6-10)14(18)19/h1-6H,(H,18,19)
InChIKeyLCOAYGDPZAIPKF-UHFFFAOYSA-N
XLogP4.36
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
methyl 2-cyano-5-(2,4-dichlorophenoxy)-N-(methylcarbamoyl)benzenecarboximidate
CID 54298244
2-cyano-5-[(2,4-dichlorophenoxy)methyl]benzoic acid
CID 155153991
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-(3-chloro-4-cyanophenoxy)-4-methylbenzoic acid
CID 62944909
2,4-bis(3,4-dicyanophenoxy)benzoic acid
CID 163338949
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
CID 20648456
4-(2,4,5-trichlorophenoxy)benzene-1,2-dicarbonitrile
CID 142771220
4-(5-bromo-2-cyanophenoxy)-2-fluorobenzoic acid
CID 107677496

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid?
The IUPAC name of 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid (CID 57003483) is 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid?
The canonical SMILES for 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid is N#Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid?
The InChIKey is LCOAYGDPZAIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-9-2-4-13(12(16)5-9)20-10-3-1-8(7-17)11(6-10)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid?
2-cyano-5-(2,4-dichlorophenoxy)benzoic acid has a molecular weight of 308.12 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(2,4-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 57003483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).