2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid

C15H10FNO3 — CID 107014369

IUPAC2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
SMILESN#Cc1ccc(COc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H10FNO3/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H,18,19)
InChIKeyKAIKDQYHCSBSTB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.97
Rot. Bonds4

About 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid

2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid (PubChem CID 107014369) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
PubChem CID107014369
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
SMILESN#Cc1ccc(COc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H10FNO3/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H,18,19)
InChIKeyKAIKDQYHCSBSTB-UHFFFAOYSA-N
XLogP2.97
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-[(4-cyanophenyl)methoxy]-5-iodobenzoic acid
CID 45417991
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
4-[(4-cyanophenyl)methoxy]-2,3-difluoro-5-methylbenzoic acid
CID 171802044
2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 82911140
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
CID 47467976
4-[(4-acetyl-3-fluorophenoxy)methyl]benzonitrile
CID 91863386
[4-(4-cyanophenyl)phenyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 4012182
4-bromo-2-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 64768322

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid?
The IUPAC name of 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid (CID 107014369) is 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid is N#Cc1ccc(COc2cc(F)ccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid?
The InChIKey is KAIKDQYHCSBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H,18,19).
What are the key properties of 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid?
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid has a molecular weight of 271.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid is sourced from PubChem (CID 107014369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).