2-[(4-phenylphenyl)methyl]benzoate

C20H15O2- — CID 2290992

IUPAC2-[(4-phenylphenyl)methyl]benzoate
SMILESO=C([O-])c1ccccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O2/c21-20(22)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)/p-1
InChIKeyUKPQBXOGKHHBMK-UHFFFAOYSA-M
MW287.34 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4-phenylphenyl)methyl]benzoate

2-[(4-phenylphenyl)methyl]benzoate (PubChem CID 2290992) has the molecular formula C20H15O2- and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]benzoate.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]benzoate
PubChem CID2290992
Molecular FormulaC20H15O2-
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name2-[(4-phenylphenyl)methyl]benzoate
SMILESO=C([O-])c1ccccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O2/c21-20(22)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)/p-1
InChIKeyUKPQBXOGKHHBMK-UHFFFAOYSA-M
XLogP3.31
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl]benzoate
CID 7039635
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[(3-fluoro-4-methylphenyl)methyl]benzoate
CID 6990700
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392
barium(2+);bis(2-ethylbenzoate)
CID 101299927
bis(2-ethylbenzoate);lead(2+)
CID 101297382
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
2-[[4-(2-phenylethynyl)phenyl]methyl]benzoic acid
CID 142972034
N-(3,4-dihydroxypyrrolidin-2-yl)-N-methyl-2-[(4-phenylphenyl)methyl]benzamide
CID 67375300

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]benzoate?
The IUPAC name of 2-[(4-phenylphenyl)methyl]benzoate (CID 2290992) is 2-[(4-phenylphenyl)methyl]benzoate.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]benzoate?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]benzoate is O=C([O-])c1ccccc1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]benzoate?
The InChIKey is UKPQBXOGKHHBMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16O2/c21-20(22)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)/p-1.
What are the key properties of 2-[(4-phenylphenyl)methyl]benzoate?
2-[(4-phenylphenyl)methyl]benzoate has a molecular weight of 287.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]benzoate is sourced from PubChem (CID 2290992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).