2-benzhydryl-1-phenylprop-2-en-1-one

C22H18O — CID 102189131

IUPAC2-benzhydryl-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-17(22(23)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H2
InChIKeyBUJPVDFSGKLTSC-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.26
Rot. Bonds5

About 2-benzhydryl-1-phenylprop-2-en-1-one

2-benzhydryl-1-phenylprop-2-en-1-one (PubChem CID 102189131) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-benzhydryl-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name2-benzhydryl-1-phenylprop-2-en-1-one
PubChem CID102189131
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name2-benzhydryl-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-17(22(23)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H2
InChIKeyBUJPVDFSGKLTSC-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-methylidene-1,3-diphenylbutan-1-one
CID 10014345
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
methyl 2-benzhydrylprop-2-enoate
CID 67016942
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
2-[bis(methylamino)methyl]-4-methylidene-1,3,5-triphenylpentane-1,5-dione
CID 146681027
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-phenylprop-2-en-1-one?
The IUPAC name of 2-benzhydryl-1-phenylprop-2-en-1-one (CID 102189131) is 2-benzhydryl-1-phenylprop-2-en-1-one.
What is the SMILES notation for 2-benzhydryl-1-phenylprop-2-en-1-one?
The canonical SMILES for 2-benzhydryl-1-phenylprop-2-en-1-one is C=C(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-1-phenylprop-2-en-1-one?
The InChIKey is BUJPVDFSGKLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-17(22(23)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,1H2.
What are the key properties of 2-benzhydryl-1-phenylprop-2-en-1-one?
2-benzhydryl-1-phenylprop-2-en-1-one has a molecular weight of 298.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-phenylprop-2-en-1-one is sourced from PubChem (CID 102189131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).