2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one

C13H14O2 — CID 70342812

IUPAC2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one
SMILESO=C1CCOC2=CC3=CC=CCC3CC12
InChIInChI=1S/C13H14O2/c14-12-5-6-15-13-8-10-4-2-1-3-9(10)7-11(12)13/h1-2,4,8-9,11H,3,5-7H2
InChIKeyYSWKSWPMLBLPLR-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.38
Rot. Bonds

About 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one

2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one (PubChem CID 70342812) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one.

Molecular Properties

Compound Name2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one
PubChem CID70342812
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one
SMILESO=C1CCOC2=CC3=CC=CCC3CC12
InChIInChI=1S/C13H14O2/c14-12-5-6-15-13-8-10-4-2-1-3-9(10)7-11(12)13/h1-2,4,8-9,11H,3,5-7H2
InChIKeyYSWKSWPMLBLPLR-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one?
The IUPAC name of 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one (CID 70342812) is 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one.
What is the SMILES notation for 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one?
The canonical SMILES for 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one is O=C1CCOC2=CC3=CC=CCC3CC12.
What is the InChIKey of 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one?
The InChIKey is YSWKSWPMLBLPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-5-6-15-13-8-10-4-2-1-3-9(10)7-11(12)13/h1-2,4,8-9,11H,3,5-7H2.
What are the key properties of 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one?
2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,5a,6-hexahydrobenzo[g]chromen-4-one is sourced from PubChem (CID 70342812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).