3-methyl-2-(2-phenylethenyl)chromen-4-one

C18H14O2 — CID 85448922

IUPAC3-methyl-2-(2-phenylethenyl)chromen-4-one
SMILESCc1c(C=Cc2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C18H14O2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19/h2-12H,1H3
InChIKeyJLKZMJOGNZFHKX-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.27
Rot. Bonds2

About 3-methyl-2-(2-phenylethenyl)chromen-4-one

3-methyl-2-(2-phenylethenyl)chromen-4-one (PubChem CID 85448922) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethenyl)chromen-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethenyl)chromen-4-one
PubChem CID85448922
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-methyl-2-(2-phenylethenyl)chromen-4-one
SMILESCc1c(C=Cc2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C18H14O2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19/h2-12H,1H3
InChIKeyJLKZMJOGNZFHKX-UHFFFAOYSA-N
XLogP4.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5368373
2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5364281
2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid
CID 14985939
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
(E)-3-(3-methyl-1-benzofuran-2-yl)prop-2-enoic acid
CID 83591347
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
CID 58451608
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
CID 102483840
[4-oxo-2-(2-phenylethenyl)chromen-3-yl] thiophene-2-carboxylate
CID 164576280
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
CID 91534261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethenyl)chromen-4-one?
The IUPAC name of 3-methyl-2-(2-phenylethenyl)chromen-4-one (CID 85448922) is 3-methyl-2-(2-phenylethenyl)chromen-4-one.
What is the SMILES notation for 3-methyl-2-(2-phenylethenyl)chromen-4-one?
The canonical SMILES for 3-methyl-2-(2-phenylethenyl)chromen-4-one is Cc1c(C=Cc2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(2-phenylethenyl)chromen-4-one?
The InChIKey is JLKZMJOGNZFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19/h2-12H,1H3.
What are the key properties of 3-methyl-2-(2-phenylethenyl)chromen-4-one?
3-methyl-2-(2-phenylethenyl)chromen-4-one has a molecular weight of 262.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethenyl)chromen-4-one is sourced from PubChem (CID 85448922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).