5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one

C14H14O4 — CID 12900454

IUPAC5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
SMILESC=CCOc1cc(OC)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H14O4/c1-4-5-17-10-7-11(16-3)14-9(2)6-13(15)18-12(14)8-10/h4,6-8H,1,5H2,2-3H3
InChIKeyDUUOCEJBWQVIJT-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.67
Rot. Bonds4

About 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one

5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one (PubChem CID 12900454) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
PubChem CID12900454
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
SMILESC=CCOc1cc(OC)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H14O4/c1-4-5-17-10-7-11(16-3)14-9(2)6-13(15)18-12(14)8-10/h4,6-8H,1,5H2,2-3H3
InChIKeyDUUOCEJBWQVIJT-UHFFFAOYSA-N
XLogP2.67
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
CID 677583
5-methoxy-1,3-bis(prop-2-enoxy)xanthen-9-one
CID 71334079
5-methoxy-4-methylchromen-2-one
CID 11286956
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
CID 23988699
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
4-(1,3-dioxolan-2-yl)-5,7-dimethoxychromen-2-one
CID 10934753
4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
(5,7-dimethoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate;ethane
CID 142122957
ethyl 2-[2-(4-methoxyphenyl)-4-oxo-7-prop-2-enoxychromen-5-yl]oxyacetate;2H-oxete
CID 67583945
6,7-dimethoxy-5-methyl-4-methylsulfanylchromen-2-one
CID 14804149
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one?
The IUPAC name of 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one (CID 12900454) is 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one?
The canonical SMILES for 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one is C=CCOc1cc(OC)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one?
The InChIKey is DUUOCEJBWQVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-4-5-17-10-7-11(16-3)14-9(2)6-13(15)18-12(14)8-10/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one?
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one is sourced from PubChem (CID 12900454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).