2-phenyl-3-phenylmethoxybenzoic acid

C20H16O3 — CID 174811177

IUPAC2-phenyl-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1cccc(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16O3/c21-20(22)17-12-7-13-18(19(17)16-10-5-2-6-11-16)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22)
InChIKeyGALDDKKNMMRQAY-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.63
Rot. Bonds5

About 2-phenyl-3-phenylmethoxybenzoic acid

2-phenyl-3-phenylmethoxybenzoic acid (PubChem CID 174811177) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-phenyl-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-phenyl-3-phenylmethoxybenzoic acid
PubChem CID174811177
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-phenyl-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1cccc(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16O3/c21-20(22)17-12-7-13-18(19(17)16-10-5-2-6-11-16)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22)
InChIKeyGALDDKKNMMRQAY-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-phenyl-3-tridecoxybenzoic acid
CID 70434237
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
2-phenylmethoxybenzoyl chloride
CID 10999355
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
3-bromo-2-[1-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 67658768
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-phenylmethoxybenzoic acid?
The IUPAC name of 2-phenyl-3-phenylmethoxybenzoic acid (CID 174811177) is 2-phenyl-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-phenyl-3-phenylmethoxybenzoic acid?
The canonical SMILES for 2-phenyl-3-phenylmethoxybenzoic acid is O=C(O)c1cccc(OCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-phenylmethoxybenzoic acid?
The InChIKey is GALDDKKNMMRQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(22)17-12-7-13-18(19(17)16-10-5-2-6-11-16)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22).
What are the key properties of 2-phenyl-3-phenylmethoxybenzoic acid?
2-phenyl-3-phenylmethoxybenzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 174811177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).