3-fluoro-5-phenylmethoxybenzoic acid

C14H11FO3 — CID 18971714

IUPAC3-fluoro-5-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H11FO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyHVZBXDHNZDYNAS-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.10
Rot. Bonds4

About 3-fluoro-5-phenylmethoxybenzoic acid

3-fluoro-5-phenylmethoxybenzoic acid (PubChem CID 18971714) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-phenylmethoxybenzoic acid
PubChem CID18971714
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-fluoro-5-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H11FO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyHVZBXDHNZDYNAS-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
CID 10063602
4-phenylmethoxybenzoic acid
CID 68896574
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
3,5-bis(phenylmethoxy)benzoate
CID 6986896
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
3-fluoro-5-propoxybenzoic acid
CID 91636267
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-fluoro-5-phenylmethoxybenzoic acid (CID 18971714) is 3-fluoro-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-fluoro-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-fluoro-5-phenylmethoxybenzoic acid is O=C(O)c1cc(F)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-fluoro-5-phenylmethoxybenzoic acid?
The InChIKey is HVZBXDHNZDYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 3-fluoro-5-phenylmethoxybenzoic acid?
3-fluoro-5-phenylmethoxybenzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 18971714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).