3-[(3-fluorophenyl)methoxy]benzoic acid

C14H11FO3 — CID 6463764

IUPAC3-[(3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H11FO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyPBEUDJJYJYWQOV-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.10
Rot. Bonds4

About 3-[(3-fluorophenyl)methoxy]benzoic acid

3-[(3-fluorophenyl)methoxy]benzoic acid (PubChem CID 6463764) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]benzoic acid
PubChem CID6463764
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-[(3-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H11FO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyPBEUDJJYJYWQOV-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

1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
2,3-dibromo-1-[3-[(3-fluorophenyl)methoxy]phenyl]propan-1-one
CID 146006635
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006669
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]benzoic acid (CID 6463764) is 3-[(3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]benzoic acid is O=C(O)c1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is PBEUDJJYJYWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 3-[(3-fluorophenyl)methoxy]benzoic acid?
3-[(3-fluorophenyl)methoxy]benzoic 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-[(3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 6463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).