1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one

C24H18O2 — CID 132595709

IUPAC1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one
SMILESO=C1OC(c2ccccc2)=C2c3ccccc3CC2C1c1ccccc1
InChIInChI=1S/C24H18O2/c25-24-21(16-9-3-1-4-10-16)20-15-18-13-7-8-14-19(18)22(20)23(26-24)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyXXNXWDAUCQNUEF-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.07
Rot. Bonds2

About 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one

1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one (PubChem CID 132595709) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one.

Molecular Properties

Compound Name1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one
PubChem CID132595709
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one
SMILESO=C1OC(c2ccccc2)=C2c3ccccc3CC2C1c1ccccc1
InChIInChI=1S/C24H18O2/c25-24-21(16-9-3-1-4-10-16)20-15-18-13-7-8-14-19(18)22(20)23(26-24)17-11-5-2-6-12-17/h1-14,20-21H,15H2
InChIKeyXXNXWDAUCQNUEF-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one?
The IUPAC name of 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one (CID 132595709) is 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one.
What is the SMILES notation for 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one?
The canonical SMILES for 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one is O=C1OC(c2ccccc2)=C2c3ccccc3CC2C1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one?
The InChIKey is XXNXWDAUCQNUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c25-24-21(16-9-3-1-4-10-16)20-15-18-13-7-8-14-19(18)22(20)23(26-24)17-11-5-2-6-12-17/h1-14,20-21H,15H2.
What are the key properties of 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one?
1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one has a molecular weight of 338.41 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-4a,5-dihydro-4H-indeno[1,2-c]pyran-3-one is sourced from PubChem (CID 132595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).