2-phenacyl-6-phenylbenzoic acid

C21H16O3 — CID 59608656

IUPAC2-phenacyl-6-phenylbenzoic acid
SMILESO=C(Cc1cccc(-c2ccccc2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16O3/c22-19(16-10-5-2-6-11-16)14-17-12-7-13-18(20(17)21(23)24)15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24)
InChIKeyXDDKAUYZRIWEFL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.48
Rot. Bonds5

About 2-phenacyl-6-phenylbenzoic acid

2-phenacyl-6-phenylbenzoic acid (PubChem CID 59608656) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-phenacyl-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-phenacyl-6-phenylbenzoic acid
PubChem CID59608656
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name2-phenacyl-6-phenylbenzoic acid
SMILESO=C(Cc1cccc(-c2ccccc2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16O3/c22-19(16-10-5-2-6-11-16)14-17-12-7-13-18(20(17)21(23)24)15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24)
InChIKeyXDDKAUYZRIWEFL-UHFFFAOYSA-N
XLogP4.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
CID 174482938
2-benzoyl-6-phenylbenzoic acid
CID 174388121
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-formyl-6-phenylbenzoic acid
CID 18003803
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
3-phenylphthalic acid;dihydrobromide
CID 67683459
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
CID 173305848
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108

Frequently Asked Questions

What is the IUPAC name of 2-phenacyl-6-phenylbenzoic acid?
The IUPAC name of 2-phenacyl-6-phenylbenzoic acid (CID 59608656) is 2-phenacyl-6-phenylbenzoic acid.
What is the SMILES notation for 2-phenacyl-6-phenylbenzoic acid?
The canonical SMILES for 2-phenacyl-6-phenylbenzoic acid is O=C(Cc1cccc(-c2ccccc2)c1C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenacyl-6-phenylbenzoic acid?
The InChIKey is XDDKAUYZRIWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-19(16-10-5-2-6-11-16)14-17-12-7-13-18(20(17)21(23)24)15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24).
What are the key properties of 2-phenacyl-6-phenylbenzoic acid?
2-phenacyl-6-phenylbenzoic acid has a molecular weight of 316.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyl-6-phenylbenzoic acid is sourced from PubChem (CID 59608656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).