4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one

C19H16O2 — CID 102021642

IUPAC4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
SMILESCc1ccc(/C=C/c2c(C)c3ccccc3oc2=O)cc1
InChIInChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)11-12-17-14(2)16-5-3-4-6-18(16)21-19(17)20/h3-12H,1-2H3/b12-11+
InChIKeyAOQODQNVLOGRLL-VAWYXSNFSA-N
MW276.34 g/mol
LogP4.58
Rot. Bonds2

About 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one

4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one (PubChem CID 102021642) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
PubChem CID102021642
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
SMILESCc1ccc(/C=C/c2c(C)c3ccccc3oc2=O)cc1
InChIInChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)11-12-17-14(2)16-5-3-4-6-18(16)21-19(17)20/h3-12H,1-2H3/b12-11+
InChIKeyAOQODQNVLOGRLL-VAWYXSNFSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 4885938
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284965
3-[(E)-2-(furan-2-yl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284966
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
(E)-3-[4-[(E)-2-[4-[(E)-2-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]ethenyl]phenyl]ethenyl]phenyl]prop-2-enoic acid
CID 146187399
2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
CID 10625080
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
4-hydroxy-3-methylchromen-2-one
CID 54687016
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-7-methoxy-4-methylchromen-2-one
CID 72544099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one?
The IUPAC name of 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one (CID 102021642) is 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one.
What is the SMILES notation for 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one?
The canonical SMILES for 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one is Cc1ccc(/C=C/c2c(C)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one?
The InChIKey is AOQODQNVLOGRLL-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-7-9-15(10-8-13)11-12-17-14(2)16-5-3-4-6-18(16)21-19(17)20/h3-12H,1-2H3/b12-11+.
What are the key properties of 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one?
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one has a molecular weight of 276.34 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one is sourced from PubChem (CID 102021642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).