4-ethoxy-7-methylchromen-2-one

C12H12O3 — CID 688944

IUPAC4-ethoxy-7-methylchromen-2-one
SMILESCCOc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C12H12O3/c1-3-14-10-7-12(13)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3
InChIKeyUQNGBKYOCBSSOA-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.50
Rot. Bonds2

About 4-ethoxy-7-methylchromen-2-one

4-ethoxy-7-methylchromen-2-one (PubChem CID 688944) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-ethoxy-7-methylchromen-2-one.

Molecular Properties

Compound Name4-ethoxy-7-methylchromen-2-one
PubChem CID688944
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name4-ethoxy-7-methylchromen-2-one
SMILESCCOc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C12H12O3/c1-3-14-10-7-12(13)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3
InChIKeyUQNGBKYOCBSSOA-UHFFFAOYSA-N
XLogP2.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxychromen-2-one
CID 688703
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
7-methyl-4-propan-2-ylchromen-2-one
CID 89182688
4,5-diethoxychromen-2-one
CID 90255780
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]acetate
CID 11609010
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfonyl]acetate
CID 11623988
7-methyl-2-oxochromene-4-carboxylic acid
CID 12820478
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7-methylchromen-2-one?
The IUPAC name of 4-ethoxy-7-methylchromen-2-one (CID 688944) is 4-ethoxy-7-methylchromen-2-one.
What is the SMILES notation for 4-ethoxy-7-methylchromen-2-one?
The canonical SMILES for 4-ethoxy-7-methylchromen-2-one is CCOc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of 4-ethoxy-7-methylchromen-2-one?
The InChIKey is UQNGBKYOCBSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-14-10-7-12(13)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethoxy-7-methylchromen-2-one?
4-ethoxy-7-methylchromen-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7-methylchromen-2-one is sourced from PubChem (CID 688944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).