2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one

C29H24O3 — CID 3319467

IUPAC2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one
SMILESO=C1CCCC2=C1OC(CC(=O)c1ccccc1)(c1ccccc1)C=C2c1ccccc1
InChIInChI=1S/C29H24O3/c30-26-18-10-17-24-25(21-11-4-1-5-12-21)19-29(32-28(24)26,23-15-8-3-9-16-23)20-27(31)22-13-6-2-7-14-22/h1-9,11-16,19H,10,17-18,20H2
InChIKeyAYRSKISQYSGZHT-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.28
Rot. Bonds5

About 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one

2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one (PubChem CID 3319467) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one.

Molecular Properties

Compound Name2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one
PubChem CID3319467
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one
SMILESO=C1CCCC2=C1OC(CC(=O)c1ccccc1)(c1ccccc1)C=C2c1ccccc1
InChIInChI=1S/C29H24O3/c30-26-18-10-17-24-25(21-11-4-1-5-12-21)19-29(32-28(24)26,23-15-8-3-9-16-23)20-27(31)22-13-6-2-7-14-22/h1-9,11-16,19H,10,17-18,20H2
InChIKeyAYRSKISQYSGZHT-UHFFFAOYSA-N
XLogP6.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one?
The IUPAC name of 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one (CID 3319467) is 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one.
What is the SMILES notation for 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one?
The canonical SMILES for 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one is O=C1CCCC2=C1OC(CC(=O)c1ccccc1)(c1ccccc1)C=C2c1ccccc1.
What is the InChIKey of 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one?
The InChIKey is AYRSKISQYSGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c30-26-18-10-17-24-25(21-11-4-1-5-12-21)19-29(32-28(24)26,23-15-8-3-9-16-23)20-27(31)22-13-6-2-7-14-22/h1-9,11-16,19H,10,17-18,20H2.
What are the key properties of 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one?
2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one has a molecular weight of 420.51 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one is sourced from PubChem (CID 3319467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).