2,3-dihydrobenzo[c]chromen-1-one

C13H10O2 — CID 88539583

IUPAC2,3-dihydrobenzo[c]chromen-1-one
SMILESO=C1CCC=C2OC=c3ccccc3=C12
InChIInChI=1S/C13H10O2/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-2,4-5,7-8H,3,6H2
InChIKeyPLRXKQFDSMFMHD-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds

About 2,3-dihydrobenzo[c]chromen-1-one

2,3-dihydrobenzo[c]chromen-1-one (PubChem CID 88539583) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,3-dihydrobenzo[c]chromen-1-one.

Molecular Properties

Compound Name2,3-dihydrobenzo[c]chromen-1-one
PubChem CID88539583
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2,3-dihydrobenzo[c]chromen-1-one
SMILESO=C1CCC=C2OC=c3ccccc3=C12
InChIInChI=1S/C13H10O2/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-2,4-5,7-8H,3,6H2
InChIKeyPLRXKQFDSMFMHD-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[c]chromen-1-one?
The IUPAC name of 2,3-dihydrobenzo[c]chromen-1-one (CID 88539583) is 2,3-dihydrobenzo[c]chromen-1-one.
What is the SMILES notation for 2,3-dihydrobenzo[c]chromen-1-one?
The canonical SMILES for 2,3-dihydrobenzo[c]chromen-1-one is O=C1CCC=C2OC=c3ccccc3=C12.
What is the InChIKey of 2,3-dihydrobenzo[c]chromen-1-one?
The InChIKey is PLRXKQFDSMFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-11-6-3-7-12-13(11)10-5-2-1-4-9(10)8-15-12/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 2,3-dihydrobenzo[c]chromen-1-one?
2,3-dihydrobenzo[c]chromen-1-one has a molecular weight of 198.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[c]chromen-1-one is sourced from PubChem (CID 88539583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).