[3-(3-phenylbenzoyl)phenyl] acetate

C21H16O3 — CID 131863068

IUPAC[3-(3-phenylbenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H16O3/c1-15(22)24-20-12-6-11-19(14-20)21(23)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyRGJKPZISCDMCHN-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.51
Rot. Bonds4

About [3-(3-phenylbenzoyl)phenyl] acetate

[3-(3-phenylbenzoyl)phenyl] acetate (PubChem CID 131863068) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [3-(3-phenylbenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(3-phenylbenzoyl)phenyl] acetate
PubChem CID131863068
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name[3-(3-phenylbenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H16O3/c1-15(22)24-20-12-6-11-19(14-20)21(23)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyRGJKPZISCDMCHN-UHFFFAOYSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
2-[(3-acetyloxybenzoyl)amino]-4-phenylbenzoic acid;ethane
CID 143240188
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate
CID 132605863
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
[3-[4-(4-phenylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543481
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
methyl 3-acetyloxybenzoate
CID 577969

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylbenzoyl)phenyl] acetate?
The IUPAC name of [3-(3-phenylbenzoyl)phenyl] acetate (CID 131863068) is [3-(3-phenylbenzoyl)phenyl] acetate.
What is the SMILES notation for [3-(3-phenylbenzoyl)phenyl] acetate?
The canonical SMILES for [3-(3-phenylbenzoyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of [3-(3-phenylbenzoyl)phenyl] acetate?
The InChIKey is RGJKPZISCDMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-15(22)24-20-12-6-11-19(14-20)21(23)18-10-5-9-17(13-18)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of [3-(3-phenylbenzoyl)phenyl] acetate?
[3-(3-phenylbenzoyl)phenyl] acetate has a molecular weight of 316.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylbenzoyl)phenyl] acetate is sourced from PubChem (CID 131863068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).