2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one

C22H20O2 — CID 155668174

IUPAC2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one
SMILESO=C1CC(Cc2ccccc2)(c2ccccc2)OC2=CC=CCC12
InChIInChI=1S/C22H20O2/c23-20-16-22(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)24-21-14-8-7-13-19(20)21/h1-12,14,19H,13,15-16H2
InChIKeyDNDIZWFPCDIQIR-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.57
Rot. Bonds3

About 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one

2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one (PubChem CID 155668174) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one.

Molecular Properties

Compound Name2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one
PubChem CID155668174
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one
SMILESO=C1CC(Cc2ccccc2)(c2ccccc2)OC2=CC=CCC12
InChIInChI=1S/C22H20O2/c23-20-16-22(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)24-21-14-8-7-13-19(20)21/h1-12,14,19H,13,15-16H2
InChIKeyDNDIZWFPCDIQIR-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one?
The IUPAC name of 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one (CID 155668174) is 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one.
What is the SMILES notation for 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one?
The canonical SMILES for 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one is O=C1CC(Cc2ccccc2)(c2ccccc2)OC2=CC=CCC12.
What is the InChIKey of 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one?
The InChIKey is DNDIZWFPCDIQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c23-20-16-22(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)24-21-14-8-7-13-19(20)21/h1-12,14,19H,13,15-16H2.
What are the key properties of 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one?
2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-phenyl-4a,5-dihydro-3H-chromen-4-one is sourced from PubChem (CID 155668174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).