1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one

C13H14O2 — CID 69154345

IUPAC1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one
SMILESO=C1C=CC2C(COC3=CC=CCC32)C1
InChIInChI=1S/C13H14O2/c14-10-5-6-11-9(7-10)8-15-13-4-2-1-3-12(11)13/h1-2,4-6,9,11-12H,3,7-8H2
InChIKeyWVIUBYMZYZFTDC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.24
Rot. Bonds

About 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one

1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one (PubChem CID 69154345) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one.

Molecular Properties

Compound Name1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one
PubChem CID69154345
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one
SMILESO=C1C=CC2C(COC3=CC=CCC32)C1
InChIInChI=1S/C13H14O2/c14-10-5-6-11-9(7-10)8-15-13-4-2-1-3-12(11)13/h1-2,4-6,9,11-12H,3,7-8H2
InChIKeyWVIUBYMZYZFTDC-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one?
The IUPAC name of 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one (CID 69154345) is 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one.
What is the SMILES notation for 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one?
The canonical SMILES for 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one is O=C1C=CC2C(COC3=CC=CCC32)C1.
What is the InChIKey of 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one?
The InChIKey is WVIUBYMZYZFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-5-6-11-9(7-10)8-15-13-4-2-1-3-12(11)13/h1-2,4-6,9,11-12H,3,7-8H2.
What are the key properties of 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one?
1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one has a molecular weight of 202.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6a,7,10a,10b-hexahydrobenzo[c]chromen-8-one is sourced from PubChem (CID 69154345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).