1,2-diphenylethanone;diphenylmethanone

C27H22O2 — CID 141067729

IUPAC1,2-diphenylethanone;diphenylmethanone
SMILESO=C(Cc1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O.C13H10O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,11H2;1-10H
InChIKeyAYZJHUAOBHFJRP-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.03
Rot. Bonds5

About 1,2-diphenylethanone;diphenylmethanone

1,2-diphenylethanone;diphenylmethanone (PubChem CID 141067729) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1,2-diphenylethanone;diphenylmethanone.

Molecular Properties

Compound Name1,2-diphenylethanone;diphenylmethanone
PubChem CID141067729
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name1,2-diphenylethanone;diphenylmethanone
SMILESO=C(Cc1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O.C13H10O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,11H2;1-10H
InChIKeyAYZJHUAOBHFJRP-UHFFFAOYSA-N
XLogP6.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
diphenylmethanone;gold
CID 174931146
4-phenacylbenzoyl iodide
CID 142013538
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
diphenylmethanone
CID 3102
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
bromomethylbenzene;diphenylmethanone
CID 159613438
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethanone;diphenylmethanone?
The IUPAC name of 1,2-diphenylethanone;diphenylmethanone (CID 141067729) is 1,2-diphenylethanone;diphenylmethanone.
What is the SMILES notation for 1,2-diphenylethanone;diphenylmethanone?
The canonical SMILES for 1,2-diphenylethanone;diphenylmethanone is O=C(Cc1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethanone;diphenylmethanone?
The InChIKey is AYZJHUAOBHFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C13H10O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,11H2;1-10H.
What are the key properties of 1,2-diphenylethanone;diphenylmethanone?
1,2-diphenylethanone;diphenylmethanone has a molecular weight of 378.47 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethanone;diphenylmethanone is sourced from PubChem (CID 141067729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).