6,7-diethylchromen-2-one

C13H14O2 — CID 90255356

IUPAC6,7-diethylchromen-2-one
SMILESCCc1cc2ccc(=O)oc2cc1CC
InChIInChI=1S/C13H14O2/c1-3-9-7-11-5-6-13(14)15-12(11)8-10(9)4-2/h5-8H,3-4H2,1-2H3
InChIKeyDPFXPVWRPVKPDT-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.92
Rot. Bonds2

About 6,7-diethylchromen-2-one

6,7-diethylchromen-2-one (PubChem CID 90255356) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6,7-diethylchromen-2-one.

Molecular Properties

Compound Name6,7-diethylchromen-2-one
PubChem CID90255356
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name6,7-diethylchromen-2-one
SMILESCCc1cc2ccc(=O)oc2cc1CC
InChIInChI=1S/C13H14O2/c1-3-9-7-11-5-6-13(14)15-12(11)8-10(9)4-2/h5-8H,3-4H2,1-2H3
InChIKeyDPFXPVWRPVKPDT-UHFFFAOYSA-N
XLogP2.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-7-(2-oxoethyl)chromen-6-yl]acetaldehyde
CID 71611098
2-(6-ethyl-2-oxochromen-7-yl)oxyacetic acid
CID 88514719
6,7-dimethoxychromen-2-one
CID 159563577
6-amino-7-(2-aminoethyl)chromen-2-one
CID 11615385
7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
CID 5316525
7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
CID 134989730
6,7-dihydroxychromen-2-one
CID 5281416
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
7-ethylsulfanylchromen-2-one
CID 177163934
7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-tert-butyl-3-ethylchromen-2-one
CID 89010993

Frequently Asked Questions

What is the IUPAC name of 6,7-diethylchromen-2-one?
The IUPAC name of 6,7-diethylchromen-2-one (CID 90255356) is 6,7-diethylchromen-2-one.
What is the SMILES notation for 6,7-diethylchromen-2-one?
The canonical SMILES for 6,7-diethylchromen-2-one is CCc1cc2ccc(=O)oc2cc1CC.
What is the InChIKey of 6,7-diethylchromen-2-one?
The InChIKey is DPFXPVWRPVKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-9-7-11-5-6-13(14)15-12(11)8-10(9)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 6,7-diethylchromen-2-one?
6,7-diethylchromen-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethylchromen-2-one is sourced from PubChem (CID 90255356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).