4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid

C15H9Cl2NO3 — CID 102663354

IUPAC4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/c16-11-3-4-12(15(19)20)14(6-11)21-8-10-2-1-9(7-18)5-13(10)17/h1-6H,8H2,(H,19,20)
InChIKeySFQRNBAAAPFUNQ-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid

4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid (PubChem CID 102663354) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
PubChem CID102663354
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/c16-11-3-4-12(15(19)20)14(6-11)21-8-10-2-1-9(7-18)5-13(10)17/h1-6H,8H2,(H,19,20)
InChIKeySFQRNBAAAPFUNQ-UHFFFAOYSA-N
XLogP4.14
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-4-cyanophenyl)methoxy]-2-fluorobenzoic acid
CID 107675307
3-[(2-chloro-4-cyanophenyl)methoxy]-2-methylbenzoic acid
CID 102663377
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
2-[2-[(2-chloro-4-cyanophenyl)methoxy]phenyl]acetic acid
CID 102663373
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
3-chloro-4-[[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102668674
3-chloro-4-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102668673
3-chloro-4-[(4-chloro-2-nitrophenoxy)methyl]benzonitrile
CID 102665829
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
CID 47467976
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
CID 114322427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid (CID 102663354) is 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid is N#Cc1ccc(COc2cc(Cl)ccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid?
The InChIKey is SFQRNBAAAPFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-11-3-4-12(15(19)20)14(6-11)21-8-10-2-1-9(7-18)5-13(10)17/h1-6H,8H2,(H,19,20).
What are the key properties of 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid?
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid has a molecular weight of 322.15 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid is sourced from PubChem (CID 102663354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).