3-[(2-cyanophenoxy)methyl]benzoic acid

C15H11NO3 — CID 24708246

IUPAC3-[(2-cyanophenoxy)methyl]benzoic acid
SMILESN#Cc1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H11NO3/c16-9-13-5-1-2-7-14(13)19-10-11-4-3-6-12(8-11)15(17)18/h1-8H,10H2,(H,17,18)
InChIKeyAWUHBXMUGLGASF-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.84
Rot. Bonds4

About 3-[(2-cyanophenoxy)methyl]benzoic acid

3-[(2-cyanophenoxy)methyl]benzoic acid (PubChem CID 24708246) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(2-cyanophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-cyanophenoxy)methyl]benzoic acid
PubChem CID24708246
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-[(2-cyanophenoxy)methyl]benzoic acid
SMILESN#Cc1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H11NO3/c16-9-13-5-1-2-7-14(13)19-10-11-4-3-6-12(8-11)15(17)18/h1-8H,10H2,(H,17,18)
InChIKeyAWUHBXMUGLGASF-UHFFFAOYSA-N
XLogP2.84
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile
CID 86953039
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
3-[(3-cyanophenyl)methoxy]-4-methoxybenzoic acid
CID 24695620
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(2-cyanophenoxy)methyl]benzoic acid (CID 24708246) is 3-[(2-cyanophenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-cyanophenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(2-cyanophenoxy)methyl]benzoic acid is N#Cc1ccccc1OCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-cyanophenoxy)methyl]benzoic acid?
The InChIKey is AWUHBXMUGLGASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-9-13-5-1-2-7-14(13)19-10-11-4-3-6-12(8-11)15(17)18/h1-8H,10H2,(H,17,18).
What are the key properties of 3-[(2-cyanophenoxy)methyl]benzoic acid?
3-[(2-cyanophenoxy)methyl]benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenoxy)methyl]benzoic acid is sourced from PubChem (CID 24708246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).