7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one

C27H20O2 — CID 2825367

IUPAC7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one
SMILESCC12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O
InChIInChI=1S/C27H20O2/c1-27-25(28)18-23(20-13-7-3-8-14-20)26(27)22(19-11-5-2-6-12-19)17-24(29-27)21-15-9-4-10-16-21/h2-18H,1H3
InChIKeyHGPNGXFIZUYUNC-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.94
Rot. Bonds3

About 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one

7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one (PubChem CID 2825367) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one
PubChem CID2825367
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one
SMILESCC12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O
InChIInChI=1S/C27H20O2/c1-27-25(28)18-23(20-13-7-3-8-14-20)26(27)22(19-11-5-2-6-12-19)17-24(29-27)21-15-9-4-10-16-21/h2-18H,1H3
InChIKeyHGPNGXFIZUYUNC-UHFFFAOYSA-N
XLogP5.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one?
The IUPAC name of 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one (CID 2825367) is 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one.
What is the SMILES notation for 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one?
The canonical SMILES for 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one is CC12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O.
What is the InChIKey of 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one?
The InChIKey is HGPNGXFIZUYUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2/c1-27-25(28)18-23(20-13-7-3-8-14-20)26(27)22(19-11-5-2-6-12-19)17-24(29-27)21-15-9-4-10-16-21/h2-18H,1H3.
What are the key properties of 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one?
7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one has a molecular weight of 376.46 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2,4,5-triphenylcyclopenta[b]pyran-7-one is sourced from PubChem (CID 2825367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).