4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one

C16H16O2 — CID 57238398

IUPAC4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one
SMILESO=C1CCC2=C(C=C3C4=C(CCC=C4)OCC32)C1
InChIInChI=1S/C16H16O2/c17-11-5-6-12-10(7-11)8-14-13-3-1-2-4-16(13)18-9-15(12)14/h1,3,8,15H,2,4-7,9H2
InChIKeyFOIQUJOGCPFRCH-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.23
Rot. Bonds

About 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one

4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one (PubChem CID 57238398) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one.

Molecular Properties

Compound Name4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one
PubChem CID57238398
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one
SMILESO=C1CCC2=C(C=C3C4=C(CCC=C4)OCC32)C1
InChIInChI=1S/C16H16O2/c17-11-5-6-12-10(7-11)8-14-13-3-1-2-4-16(13)18-9-15(12)14/h1,3,8,15H,2,4-7,9H2
InChIKeyFOIQUJOGCPFRCH-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one?
The IUPAC name of 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one (CID 57238398) is 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one.
What is the SMILES notation for 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one?
The canonical SMILES for 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one is O=C1CCC2=C(C=C3C4=C(CCC=C4)OCC32)C1.
What is the InChIKey of 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one?
The InChIKey is FOIQUJOGCPFRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-11-5-6-12-10(7-11)8-14-13-3-1-2-4-16(13)18-9-15(12)14/h1,3,8,15H,2,4-7,9H2.
What are the key properties of 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one?
4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one has a molecular weight of 240.30 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6a,7,8,10-hexahydro-3H-indeno[1,2-c]chromen-9-one is sourced from PubChem (CID 57238398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).