2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid

C20H14F2O3 — CID 72704684

IUPAC2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F
InChIInChI=1S/C20H14F2O3/c21-17-10-14(6-8-16(17)20(23)24)15-7-9-19(18(22)11-15)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)
InChIKeyLUTHQFNIUYAWJK-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.91
Rot. Bonds5

About 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid

2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid (PubChem CID 72704684) has the molecular formula C20H14F2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
PubChem CID72704684
Molecular FormulaC20H14F2O3
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F
InChIInChI=1S/C20H14F2O3/c21-17-10-14(6-8-16(17)20(23)24)15-7-9-19(18(22)11-15)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)
InChIKeyLUTHQFNIUYAWJK-UHFFFAOYSA-N
XLogP4.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid (CID 72704684) is 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid?
The InChIKey is LUTHQFNIUYAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3/c21-17-10-14(6-8-16(17)20(23)24)15-7-9-19(18(22)11-15)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24).
What are the key properties of 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid?
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid has a molecular weight of 340.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 72704684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).