7-ethyl-4-methylchromen-2-one

C12H12O2 — CID 5160585

IUPAC7-ethyl-4-methylchromen-2-one
SMILESCCc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C12H12O2/c1-3-9-4-5-10-8(2)6-12(13)14-11(10)7-9/h4-7H,3H2,1-2H3
InChIKeyKBAOONDOLHDLDN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.66
Rot. Bonds1

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

7-ethyl-4-methylchromen-2-one (PubChem CID 5160585) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-ethyl-4-methylchromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-methylchromen-2-one
PubChem CID5160585
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7-ethyl-4-methylchromen-2-one
SMILESCCc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C12H12O2/c1-3-9-4-5-10-8(2)6-12(13)14-11(10)7-9/h4-7H,3H2,1-2H3
InChIKeyKBAOONDOLHDLDN-UHFFFAOYSA-N
XLogP2.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.66
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

7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
CID 89064299
CID 89064299
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
7-(4,4-dihydroxybutyl)-4-methylchromen-2-one
CID 156779613
8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10545292
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 18272991
6-ethyl-3-methyl-1-benzofuran
CID 45122551
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methylchromen-2-one?
The IUPAC name of 7-ethyl-4-methylchromen-2-one (CID 5160585) is 7-ethyl-4-methylchromen-2-one.
What is the SMILES notation for 7-ethyl-4-methylchromen-2-one?
The canonical SMILES for 7-ethyl-4-methylchromen-2-one is CCc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-methylchromen-2-one?
The InChIKey is KBAOONDOLHDLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-9-4-5-10-8(2)6-12(13)14-11(10)7-9/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-methylchromen-2-one?
7-ethyl-4-methylchromen-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methylchromen-2-one is sourced from PubChem (CID 5160585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).