6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one

C13H12O3 — CID 5319497

IUPAC6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
SMILESCO/C=C\c1cc2ccc(=O)oc2cc1C
InChIInChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-
InChIKeyGENWIQAWAHKDHA-WAYWQWQTSA-N
MW216.24 g/mol
LogP2.72
Rot. Bonds2

About 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one

6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one (PubChem CID 5319497) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
PubChem CID5319497
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
SMILESCO/C=C\c1cc2ccc(=O)oc2cc1C
InChIInChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-
InChIKeyGENWIQAWAHKDHA-WAYWQWQTSA-N
XLogP2.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxychromen-2-one
CID 159563577
7-methoxy-6-[(E)-3-methoxy-3-methylbut-1-enyl]chromen-2-one
CID 14212556
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
CID 134989730
6-(3-ethoxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
CID 162950846
6,7-bis(4-methylphenyl)chromen-2-one
CID 58882740
7-methoxy-6-nitrochromen-2-one
CID 10656586
7-butoxy-2-oxochromene-6-carbaldehyde
CID 88582324
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
6,7-diethylchromen-2-one
CID 90255356
6,7-dihydroxychromen-2-one
CID 5281416
7-(4-methylphenyl)chromen-2-one
CID 50994676

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one?
The IUPAC name of 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one (CID 5319497) is 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one.
What is the SMILES notation for 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one?
The canonical SMILES for 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one is CO/C=C\c1cc2ccc(=O)oc2cc1C.
What is the InChIKey of 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one?
The InChIKey is GENWIQAWAHKDHA-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-.
What are the key properties of 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one?
6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one is sourced from PubChem (CID 5319497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).