(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one

C17H16O — CID 11160715

IUPAC(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one
SMILESO=C1CC[C@H]2Cc3c(ccc4ccccc34)[C@H]2C1
InChIInChI=1S/C17H16O/c18-13-7-5-12-9-17-14-4-2-1-3-11(14)6-8-15(17)16(12)10-13/h1-4,6,8,12,16H,5,7,9-10H2/t12-,16-/m0/s1
InChIKeyUWPYKJSXGOIMFE-LRDDRELGSA-N
MW236.31 g/mol
LogP3.85
Rot. Bonds

About (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one

(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one (PubChem CID 11160715) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one.

Molecular Properties

Compound Name(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one
PubChem CID11160715
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one
SMILESO=C1CC[C@H]2Cc3c(ccc4ccccc34)[C@H]2C1
InChIInChI=1S/C17H16O/c18-13-7-5-12-9-17-14-4-2-1-3-11(14)6-8-15(17)16(12)10-13/h1-4,6,8,12,16H,5,7,9-10H2/t12-,16-/m0/s1
InChIKeyUWPYKJSXGOIMFE-LRDDRELGSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one?
The IUPAC name of (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one (CID 11160715) is (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one.
What is the SMILES notation for (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one?
The canonical SMILES for (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one is O=C1CC[C@H]2Cc3c(ccc4ccccc34)[C@H]2C1.
What is the InChIKey of (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one?
The InChIKey is UWPYKJSXGOIMFE-LRDDRELGSA-N. The full InChI is InChI=1S/C17H16O/c18-13-7-5-12-9-17-14-4-2-1-3-11(14)6-8-15(17)16(12)10-13/h1-4,6,8,12,16H,5,7,9-10H2/t12-,16-/m0/s1.
What are the key properties of (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one?
(6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one has a molecular weight of 236.31 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6bS,10aS)-6b,7,9,10,10a,11-hexahydrobenzo[a]fluoren-8-one is sourced from PubChem (CID 11160715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).