2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid

C14H10ClFO3 — CID 65124992

IUPAC2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1cccc(Cl)c1
InChIInChI=1S/C14H10ClFO3/c15-10-4-1-3-9(7-10)8-19-13-11(14(17)18)5-2-6-12(13)16/h1-7H,8H2,(H,17,18)
InChIKeyFXIRSMFJJGHEDR-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.76
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid

2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid (PubChem CID 65124992) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
PubChem CID65124992
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1cccc(Cl)c1
InChIInChI=1S/C14H10ClFO3/c15-10-4-1-3-9(7-10)8-19-13-11(14(17)18)5-2-6-12(13)16/h1-7H,8H2,(H,17,18)
InChIKeyFXIRSMFJJGHEDR-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
2-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
3-amino-2-[(3,4-difluorophenyl)methoxy]benzoic acid
CID 107077228
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
2-[2-[benzyl-[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-3-fluorobenzoic acid
CID 110076822
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid (CID 65124992) is 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid?
The InChIKey is FXIRSMFJJGHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c15-10-4-1-3-9(7-10)8-19-13-11(14(17)18)5-2-6-12(13)16/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid?
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid has a molecular weight of 280.68 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid is sourced from PubChem (CID 65124992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).