7-methyl-6-(3-methylbut-2-enyl)chromen-2-one

C15H16O2 — CID 134989730

IUPAC7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
SMILESCC(C)=CCc1cc2ccc(=O)oc2cc1C
InChIInChI=1S/C15H16O2/c1-10(2)4-5-12-9-13-6-7-15(16)17-14(13)8-11(12)3/h4,6-9H,5H2,1-3H3
InChIKeyQDJNDESQZAMGAV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.61
Rot. Bonds2

About 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one

7-methyl-6-(3-methylbut-2-enyl)chromen-2-one (PubChem CID 134989730) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
PubChem CID134989730
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
SMILESCC(C)=CCc1cc2ccc(=O)oc2cc1C
InChIInChI=1S/C15H16O2/c1-10(2)4-5-12-9-13-6-7-15(16)17-14(13)8-11(12)3/h4,6-9H,5H2,1-3H3
InChIKeyQDJNDESQZAMGAV-UHFFFAOYSA-N
XLogP3.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
CID 5316525
7-methyl-3-(3-methylbut-2-enyl)chromen-2-one
CID 134990013
7-hydroxy-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
CID 10879399
6,7-diethylchromen-2-one
CID 90255356
2-[2-oxo-7-(2-oxoethyl)chromen-6-yl]acetaldehyde
CID 71611098
7-(3-methylbut-2-enylamino)chromen-2-one
CID 11974506
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methylchromen-2-one
CID 134912179
6,7-dimethoxychromen-2-one
CID 159563577
6-bromo-7-hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
CID 102156895
6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
CID 5319497
8-(3-methylbut-2-enyl)-2-oxochromen-7-olate
CID 102525261
6,7-dihydroxychromen-2-one
CID 5281416

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one?
The IUPAC name of 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one (CID 134989730) is 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one.
What is the SMILES notation for 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one?
The canonical SMILES for 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one is CC(C)=CCc1cc2ccc(=O)oc2cc1C.
What is the InChIKey of 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one?
The InChIKey is QDJNDESQZAMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10(2)4-5-12-9-13-6-7-15(16)17-14(13)8-11(12)3/h4,6-9H,5H2,1-3H3.
What are the key properties of 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one?
7-methyl-6-(3-methylbut-2-enyl)chromen-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(3-methylbut-2-enyl)chromen-2-one is sourced from PubChem (CID 134989730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).