3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid

C15H10ClNO3 — CID 115955877

IUPAC3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
SMILESN#Cc1cccc(COc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C15H10ClNO3/c16-13-6-2-5-12(15(18)19)14(13)20-9-11-4-1-3-10(7-11)8-17/h1-7H,9H2,(H,18,19)
InChIKeyCBBZIAMPWZRMQQ-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.49
Rot. Bonds4

About 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid

3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid (PubChem CID 115955877) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
PubChem CID115955877
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
SMILESN#Cc1cccc(COc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C15H10ClNO3/c16-13-6-2-5-12(15(18)19)14(13)20-9-11-4-1-3-10(7-11)8-17/h1-7H,9H2,(H,18,19)
InChIKeyCBBZIAMPWZRMQQ-UHFFFAOYSA-N
XLogP3.49
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745
3-chloro-2-[(4-cyano-2-methylphenyl)methoxy]benzoic acid
CID 114482412
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
2-amino-5-[(3-cyanophenyl)methoxy]-3-methylbenzoic acid
CID 63102352
3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzonitrile
CID 43607862
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid (CID 115955877) is 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid is N#Cc1cccc(COc2c(Cl)cccc2C(=O)O)c1.
What is the InChIKey of 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid?
The InChIKey is CBBZIAMPWZRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-13-6-2-5-12(15(18)19)14(13)20-9-11-4-1-3-10(7-11)8-17/h1-7H,9H2,(H,18,19).
What are the key properties of 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid?
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid has a molecular weight of 287.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid is sourced from PubChem (CID 115955877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).