4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one

C19H16O3 — CID 15092135

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
SMILESCOc1ccc(/C=C/c2cc(=O)oc3cc(C)ccc23)cc1
InChIInChI=1S/C19H16O3/c1-13-3-10-17-15(12-19(20)22-18(17)11-13)7-4-14-5-8-16(21-2)9-6-14/h3-12H,1-2H3/b7-4+
InChIKeyNDICTQBFVSZZMI-QPJJXVBHSA-N
MW292.33 g/mol
LogP4.28
Rot. Bonds3

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one

4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one (PubChem CID 15092135) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
PubChem CID15092135
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
SMILESCOc1ccc(/C=C/c2cc(=O)oc3cc(C)ccc23)cc1
InChIInChI=1S/C19H16O3/c1-13-3-10-17-15(12-19(20)22-18(17)11-13)7-4-14-5-8-16(21-2)9-6-14/h3-12H,1-2H3/b7-4+
InChIKeyNDICTQBFVSZZMI-QPJJXVBHSA-N
XLogP4.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.28
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-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195
[2-oxo-4-(2-phenylethenyl)chromen-7-yl] acetate
CID 91605993
4-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]-7-methoxychromen-2-one
CID 11324403
4-[(E)-2-[4-(N-hexylanilino)phenyl]ethenyl]-7-methylchromen-2-one
CID 122383329
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
CID 177413343
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
7-[2-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]ethoxy]-4-methylchromen-2-one
CID 171118238
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
CID 15683779
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one (CID 15092135) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one is COc1ccc(/C=C/c2cc(=O)oc3cc(C)ccc23)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one?
The InChIKey is NDICTQBFVSZZMI-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H16O3/c1-13-3-10-17-15(12-19(20)22-18(17)11-13)7-4-14-5-8-16(21-2)9-6-14/h3-12H,1-2H3/b7-4+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one has a molecular weight of 292.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one is sourced from PubChem (CID 15092135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).