6-ethoxy-4-methoxychromen-2-one

C12H12O4 — CID 90255456

IUPAC6-ethoxy-4-methoxychromen-2-one
SMILESCCOc1ccc2oc(=O)cc(OC)c2c1
InChIInChI=1S/C12H12O4/c1-3-15-8-4-5-10-9(6-8)11(14-2)7-12(13)16-10/h4-7H,3H2,1-2H3
InChIKeyARKABWVSOKDILZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.20
Rot. Bonds3

About 6-ethoxy-4-methoxychromen-2-one

6-ethoxy-4-methoxychromen-2-one (PubChem CID 90255456) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-ethoxy-4-methoxychromen-2-one.

Molecular Properties

Compound Name6-ethoxy-4-methoxychromen-2-one
PubChem CID90255456
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name6-ethoxy-4-methoxychromen-2-one
SMILESCCOc1ccc2oc(=O)cc(OC)c2c1
InChIInChI=1S/C12H12O4/c1-3-15-8-4-5-10-9(6-8)11(14-2)7-12(13)16-10/h4-7H,3H2,1-2H3
InChIKeyARKABWVSOKDILZ-UHFFFAOYSA-N
XLogP2.20
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-propylchromen-2-one
CID 134087770
5-ethoxy-3-methoxy-1-benzofuran-2-ol
CID 150105787
6-ethoxy-4-[(4-ethoxy-N-methylanilino)methyl]chromen-2-one
CID 23606545
4-ethoxychromen-2-one
CID 688703
2-ethoxyxanthen-9-one
CID 14150405
6-butoxy-4-methylchromen-2-one
CID 91726871
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
[6-[(4-methoxyphenyl)methoxy]-2-oxochromen-4-yl] trifluoromethanesulfonate
CID 20817813
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453
3-[(6-ethoxy-2-oxochromen-4-yl)methyl-methylamino]propanenitrile
CID 6463388
7-ethoxy-4-phenylchromen-2-one
CID 678937
6-decoxy-4-methylchromen-2-one
CID 3818631

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methoxychromen-2-one?
The IUPAC name of 6-ethoxy-4-methoxychromen-2-one (CID 90255456) is 6-ethoxy-4-methoxychromen-2-one.
What is the SMILES notation for 6-ethoxy-4-methoxychromen-2-one?
The canonical SMILES for 6-ethoxy-4-methoxychromen-2-one is CCOc1ccc2oc(=O)cc(OC)c2c1.
What is the InChIKey of 6-ethoxy-4-methoxychromen-2-one?
The InChIKey is ARKABWVSOKDILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-15-8-4-5-10-9(6-8)11(14-2)7-12(13)16-10/h4-7H,3H2,1-2H3.
What are the key properties of 6-ethoxy-4-methoxychromen-2-one?
6-ethoxy-4-methoxychromen-2-one has a molecular weight of 220.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methoxychromen-2-one is sourced from PubChem (CID 90255456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).