7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one

C21H20O3 — CID 883551

IUPAC7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
SMILESC=Cc1ccc(COc2ccc3c(CC)cc(=O)oc3c2C)cc1
InChIInChI=1S/C21H20O3/c1-4-15-6-8-16(9-7-15)13-23-19-11-10-18-17(5-2)12-20(22)24-21(18)14(19)3/h4,6-12H,1,5,13H2,2-3H3
InChIKeySZQHJQUBNJBIQB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.89
Rot. Bonds5

About 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one

7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one (PubChem CID 883551) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one.

Molecular Properties

Compound Name7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
PubChem CID883551
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
SMILESC=Cc1ccc(COc2ccc3c(CC)cc(=O)oc3c2C)cc1
InChIInChI=1S/C21H20O3/c1-4-15-6-8-16(9-7-15)13-23-19-11-10-18-17(5-2)12-20(22)24-21(18)14(19)3/h4,6-12H,1,5,13H2,2-3H3
InChIKeySZQHJQUBNJBIQB-UHFFFAOYSA-N
XLogP4.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The IUPAC name of 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one (CID 883551) is 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one.
What is the SMILES notation for 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The canonical SMILES for 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one is C=Cc1ccc(COc2ccc3c(CC)cc(=O)oc3c2C)cc1.
What is the InChIKey of 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The InChIKey is SZQHJQUBNJBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-4-15-6-8-16(9-7-15)13-23-19-11-10-18-17(5-2)12-20(22)24-21(18)14(19)3/h4,6-12H,1,5,13H2,2-3H3.
What are the key properties of 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one is sourced from PubChem (CID 883551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).