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

C12H12O3 — CID 54732994

IUPAC7-ethyl-4-hydroxy-6-methylchromen-2-one
SMILESCCc1cc2oc(=O)cc(O)c2cc1C
InChIInChI=1S/C12H12O3/c1-3-8-5-11-9(4-7(8)2)10(13)6-12(14)15-11/h4-6,13H,3H2,1-2H3
InChIKeyDVSUEIITDYMTFB-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.37
Rot. Bonds1

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

7-ethyl-4-hydroxy-6-methylchromen-2-one (PubChem CID 54732994) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-ethyl-4-hydroxy-6-methylchromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-hydroxy-6-methylchromen-2-one
PubChem CID54732994
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-ethyl-4-hydroxy-6-methylchromen-2-one
SMILESCCc1cc2oc(=O)cc(O)c2cc1C
InChIInChI=1S/C12H12O3/c1-3-8-5-11-9(4-7(8)2)10(13)6-12(14)15-11/h4-6,13H,3H2,1-2H3
InChIKeyDVSUEIITDYMTFB-UHFFFAOYSA-N
XLogP2.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051
4-hydroxy-7-(methylamino)chromen-2-one
CID 54690209
(4,5-dimethoxy-2-methylphenyl)methyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 8551911
6-chloro-4-hydroxy-7-methoxychromen-2-one
CID 57363219
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
7-ethyl-4-methylchromen-2-one
CID 5160585
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium
CID 8516750
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
6-ethyl-7-hydroxy-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]chromen-2-one
CID 9102509

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-hydroxy-6-methylchromen-2-one?
The IUPAC name of 7-ethyl-4-hydroxy-6-methylchromen-2-one (CID 54732994) is 7-ethyl-4-hydroxy-6-methylchromen-2-one.
What is the SMILES notation for 7-ethyl-4-hydroxy-6-methylchromen-2-one?
The canonical SMILES for 7-ethyl-4-hydroxy-6-methylchromen-2-one is CCc1cc2oc(=O)cc(O)c2cc1C.
What is the InChIKey of 7-ethyl-4-hydroxy-6-methylchromen-2-one?
The InChIKey is DVSUEIITDYMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-8-5-11-9(4-7(8)2)10(13)6-12(14)15-11/h4-6,13H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-hydroxy-6-methylchromen-2-one?
7-ethyl-4-hydroxy-6-methylchromen-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-hydroxy-6-methylchromen-2-one is sourced from PubChem (CID 54732994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).