4-ethyl-7-hydroxy-6-methoxychromen-2-one

C12H12O4 — CID 119087961

IUPAC4-ethyl-7-hydroxy-6-methoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(O)c(OC)cc12
InChIInChI=1S/C12H12O4/c1-3-7-4-12(14)16-10-6-9(13)11(15-2)5-8(7)10/h4-6,13H,3H2,1-2H3
InChIKeyMWUAJJOFCVNHCO-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.07
Rot. Bonds2

About 4-ethyl-7-hydroxy-6-methoxychromen-2-one

4-ethyl-7-hydroxy-6-methoxychromen-2-one (PubChem CID 119087961) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-6-methoxychromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-6-methoxychromen-2-one
PubChem CID119087961
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-ethyl-7-hydroxy-6-methoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(O)c(OC)cc12
InChIInChI=1S/C12H12O4/c1-3-7-4-12(14)16-10-6-9(13)11(15-2)5-8(7)10/h4-6,13H,3H2,1-2H3
InChIKeyMWUAJJOFCVNHCO-UHFFFAOYSA-N
XLogP2.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 9256508
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
(4,5-dimethoxy-2-methylphenyl)methyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 8551911
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
(4-ethyl-6-hydroxy-2-oxochromen-7-yl) benzoate
CID 176776956
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681334
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3,5-dimethoxybenzoate
CID 8528731
ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349393
(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
CID 15337094

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-6-methoxychromen-2-one?
The IUPAC name of 4-ethyl-7-hydroxy-6-methoxychromen-2-one (CID 119087961) is 4-ethyl-7-hydroxy-6-methoxychromen-2-one.
What is the SMILES notation for 4-ethyl-7-hydroxy-6-methoxychromen-2-one?
The canonical SMILES for 4-ethyl-7-hydroxy-6-methoxychromen-2-one is CCc1cc(=O)oc2cc(O)c(OC)cc12.
What is the InChIKey of 4-ethyl-7-hydroxy-6-methoxychromen-2-one?
The InChIKey is MWUAJJOFCVNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-7-4-12(14)16-10-6-9(13)11(15-2)5-8(7)10/h4-6,13H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-hydroxy-6-methoxychromen-2-one?
4-ethyl-7-hydroxy-6-methoxychromen-2-one has a molecular weight of 220.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-6-methoxychromen-2-one is sourced from PubChem (CID 119087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).