benzo[c]chromen-6-one

C13H8O2 — CID 16173

IUPACbenzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccccc12
InChIInChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKeyTVKNXKLYVUVOCV-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.95
Rot. Bonds

About benzo[c]chromen-6-one

benzo[c]chromen-6-one (PubChem CID 16173) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is benzo[c]chromen-6-one.

Molecular Properties

Compound Namebenzo[c]chromen-6-one
PubChem CID16173
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Namebenzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccccc12
InChIInChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKeyTVKNXKLYVUVOCV-UHFFFAOYSA-N
XLogP2.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c]chromen-6-one?
The IUPAC name of benzo[c]chromen-6-one (CID 16173) is benzo[c]chromen-6-one.
What is the SMILES notation for benzo[c]chromen-6-one?
The canonical SMILES for benzo[c]chromen-6-one is O=c1oc2ccccc2c2ccccc12.
What is the InChIKey of benzo[c]chromen-6-one?
The InChIKey is TVKNXKLYVUVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H.
What are the key properties of benzo[c]chromen-6-one?
benzo[c]chromen-6-one has a molecular weight of 196.21 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]chromen-6-one is sourced from PubChem (CID 16173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).