4-chloro-2-fluoro-3-phenylmethoxybenzoic acid

C14H10ClFO3 — CID 164891597

IUPAC4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(Cl)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H10ClFO3/c15-11-7-6-10(14(17)18)12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyJRBYIXWAOSALKE-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.76
Rot. Bonds4

About 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid

4-chloro-2-fluoro-3-phenylmethoxybenzoic acid (PubChem CID 164891597) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
PubChem CID164891597
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(Cl)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H10ClFO3/c15-11-7-6-10(14(17)18)12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyJRBYIXWAOSALKE-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

3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
CID 14203026
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid (CID 164891597) is 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid is O=C(O)c1ccc(Cl)c(OCc2ccccc2)c1F.
What is the InChIKey of 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid?
The InChIKey is JRBYIXWAOSALKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c15-11-7-6-10(14(17)18)12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid?
4-chloro-2-fluoro-3-phenylmethoxybenzoic 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 4-chloro-2-fluoro-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 164891597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).