3,3a-diphenylcyclopenta[b]chromen-1-one

C24H16O2 — CID 134124372

IUPAC3,3a-diphenylcyclopenta[b]chromen-1-one
SMILESO=C1C=C(c2ccccc2)C2(c3ccccc3)Oc3ccccc3C=C12
InChIInChI=1S/C24H16O2/c25-22-16-20(17-9-3-1-4-10-17)24(19-12-5-2-6-13-19)21(22)15-18-11-7-8-14-23(18)26-24/h1-16H
InChIKeyZLPQQWWXUNJLMR-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.02
Rot. Bonds2

About 3,3a-diphenylcyclopenta[b]chromen-1-one

3,3a-diphenylcyclopenta[b]chromen-1-one (PubChem CID 134124372) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,3a-diphenylcyclopenta[b]chromen-1-one.

Molecular Properties

Compound Name3,3a-diphenylcyclopenta[b]chromen-1-one
PubChem CID134124372
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Name3,3a-diphenylcyclopenta[b]chromen-1-one
SMILESO=C1C=C(c2ccccc2)C2(c3ccccc3)Oc3ccccc3C=C12
InChIInChI=1S/C24H16O2/c25-22-16-20(17-9-3-1-4-10-17)24(19-12-5-2-6-13-19)21(22)15-18-11-7-8-14-23(18)26-24/h1-16H
InChIKeyZLPQQWWXUNJLMR-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a-diphenylcyclopenta[b]chromen-1-one?
The IUPAC name of 3,3a-diphenylcyclopenta[b]chromen-1-one (CID 134124372) is 3,3a-diphenylcyclopenta[b]chromen-1-one.
What is the SMILES notation for 3,3a-diphenylcyclopenta[b]chromen-1-one?
The canonical SMILES for 3,3a-diphenylcyclopenta[b]chromen-1-one is O=C1C=C(c2ccccc2)C2(c3ccccc3)Oc3ccccc3C=C12.
What is the InChIKey of 3,3a-diphenylcyclopenta[b]chromen-1-one?
The InChIKey is ZLPQQWWXUNJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2/c25-22-16-20(17-9-3-1-4-10-17)24(19-12-5-2-6-13-19)21(22)15-18-11-7-8-14-23(18)26-24/h1-16H.
What are the key properties of 3,3a-diphenylcyclopenta[b]chromen-1-one?
3,3a-diphenylcyclopenta[b]chromen-1-one has a molecular weight of 336.39 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-diphenylcyclopenta[b]chromen-1-one is sourced from PubChem (CID 134124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).