1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one

C13H14O2 — CID 69154346

IUPAC1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one
SMILESO=C1C=CC2=C(COC3=C2CCCC3)C1
InChIInChI=1S/C13H14O2/c14-10-5-6-11-9(7-10)8-15-13-4-2-1-3-12(11)13/h5-6H,1-4,7-8H2
InChIKeyZTDCLHUDYCNFDA-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.67
Rot. Bonds

About 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one

1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one (PubChem CID 69154346) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one
PubChem CID69154346
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one
SMILESO=C1C=CC2=C(COC3=C2CCCC3)C1
InChIInChI=1S/C13H14O2/c14-10-5-6-11-9(7-10)8-15-13-4-2-1-3-12(11)13/h5-6H,1-4,7-8H2
InChIKeyZTDCLHUDYCNFDA-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one?
The IUPAC name of 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one (CID 69154346) is 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one.
What is the SMILES notation for 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one?
The canonical SMILES for 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one is O=C1C=CC2=C(COC3=C2CCCC3)C1.
What is the InChIKey of 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one?
The InChIKey is ZTDCLHUDYCNFDA-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/h5-6H,1-4,7-8H2.
What are the key properties of 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one?
1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one has a molecular weight of 202.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7-hexahydrobenzo[c]chromen-8-one is sourced from PubChem (CID 69154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).