5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid

C20H15FO3 — CID 154202317

IUPAC5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H15FO3/c21-17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(22)23)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyDUWLPBRMHPBTRX-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.77
Rot. Bonds5

About 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid

5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid (PubChem CID 154202317) has the molecular formula C20H15FO3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
PubChem CID154202317
Molecular FormulaC20H15FO3
Molecular Weight322.34 g/mol
Exact Mass322.10
IUPAC Name5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H15FO3/c21-17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(22)23)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
InChIKeyDUWLPBRMHPBTRX-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-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
5-(4-fluorophenyl)-2-prop-2-enoxybenzoic acid
CID 21416446
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid (CID 154202317) is 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid is O=C(O)c1cc(-c2ccc(F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid?
The InChIKey is DUWLPBRMHPBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO3/c21-17-9-6-15(7-10-17)16-8-11-19(18(12-16)20(22)23)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid?
5-(4-fluorophenyl)-2-phenylmethoxybenzoic 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 5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 154202317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).