2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid

C20H15FO3 — CID 53228660

IUPAC2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2OCc2ccccc2)cc1F
InChIInChI=1S/C20H15FO3/c21-18-12-15(10-11-17(18)20(22)23)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyGRZKPZFVDOTWCO-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.77
Rot. Bonds5

About 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid (PubChem CID 53228660) has the molecular formula C20H15FO3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
PubChem CID53228660
Molecular FormulaC20H15FO3
Molecular Weight322.34 g/mol
Exact Mass322.10
IUPAC Name2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2OCc2ccccc2)cc1F
InChIInChI=1S/C20H15FO3/c21-18-12-15(10-11-17(18)20(22)23)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyGRZKPZFVDOTWCO-UHFFFAOYSA-N
XLogP4.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
CID 53224525
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid (CID 53228660) is 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid is O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid?
The InChIKey is GRZKPZFVDOTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO3/c21-18-12-15(10-11-17(18)20(22)23)16-8-4-5-9-19(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23).
What are the key properties of 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid?
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 53228660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).