4a,9-dihydrobenzo[c]chromen-10-one

C13H10O2 — CID 88789002

IUPAC4a,9-dihydrobenzo[c]chromen-10-one
SMILESO=C1CC=CC2=COC3C=CC=CC3=C12
InChIInChI=1S/C13H10O2/c14-11-6-3-4-9-8-15-12-7-2-1-5-10(12)13(9)11/h1-5,7-8,12H,6H2
InChIKeyUCTFFWJRZGTZRP-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.22
Rot. Bonds

About 4a,9-dihydrobenzo[c]chromen-10-one

4a,9-dihydrobenzo[c]chromen-10-one (PubChem CID 88789002) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4a,9-dihydrobenzo[c]chromen-10-one.

Molecular Properties

Compound Name4a,9-dihydrobenzo[c]chromen-10-one
PubChem CID88789002
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4a,9-dihydrobenzo[c]chromen-10-one
SMILESO=C1CC=CC2=COC3C=CC=CC3=C12
InChIInChI=1S/C13H10O2/c14-11-6-3-4-9-8-15-12-7-2-1-5-10(12)13(9)11/h1-5,7-8,12H,6H2
InChIKeyUCTFFWJRZGTZRP-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,9-dihydrobenzo[c]chromen-10-one?
The IUPAC name of 4a,9-dihydrobenzo[c]chromen-10-one (CID 88789002) is 4a,9-dihydrobenzo[c]chromen-10-one.
What is the SMILES notation for 4a,9-dihydrobenzo[c]chromen-10-one?
The canonical SMILES for 4a,9-dihydrobenzo[c]chromen-10-one is O=C1CC=CC2=COC3C=CC=CC3=C12.
What is the InChIKey of 4a,9-dihydrobenzo[c]chromen-10-one?
The InChIKey is UCTFFWJRZGTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-6-3-4-9-8-15-12-7-2-1-5-10(12)13(9)11/h1-5,7-8,12H,6H2.
What are the key properties of 4a,9-dihydrobenzo[c]chromen-10-one?
4a,9-dihydrobenzo[c]chromen-10-one has a molecular weight of 198.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9-dihydrobenzo[c]chromen-10-one is sourced from PubChem (CID 88789002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).