1,6-dihydrobenzo[c]chromen-2-one

C13H10O2 — CID 69302656

IUPAC1,6-dihydrobenzo[c]chromen-2-one
SMILESO=C1C=CC2=C(C1)c1ccccc1CO2
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-6H,7-8H2
InChIKeyQGWPEVWKKVFHCA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.46
Rot. Bonds

About 1,6-dihydrobenzo[c]chromen-2-one

1,6-dihydrobenzo[c]chromen-2-one (PubChem CID 69302656) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,6-dihydrobenzo[c]chromen-2-one.

Molecular Properties

Compound Name1,6-dihydrobenzo[c]chromen-2-one
PubChem CID69302656
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1,6-dihydrobenzo[c]chromen-2-one
SMILESO=C1C=CC2=C(C1)c1ccccc1CO2
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-6H,7-8H2
InChIKeyQGWPEVWKKVFHCA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydrobenzo[c]chromen-2-one?
The IUPAC name of 1,6-dihydrobenzo[c]chromen-2-one (CID 69302656) is 1,6-dihydrobenzo[c]chromen-2-one.
What is the SMILES notation for 1,6-dihydrobenzo[c]chromen-2-one?
The canonical SMILES for 1,6-dihydrobenzo[c]chromen-2-one is O=C1C=CC2=C(C1)c1ccccc1CO2.
What is the InChIKey of 1,6-dihydrobenzo[c]chromen-2-one?
The InChIKey is QGWPEVWKKVFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-6H,7-8H2.
What are the key properties of 1,6-dihydrobenzo[c]chromen-2-one?
1,6-dihydrobenzo[c]chromen-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydrobenzo[c]chromen-2-one is sourced from PubChem (CID 69302656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).