6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one

C18H16O2 — CID 163063060

IUPAC6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one
SMILESCC(C=Cc1cccc(=O)o1)=CC=Cc1ccccc1
InChIInChI=1S/C18H16O2/c1-15(7-5-10-16-8-3-2-4-9-16)13-14-17-11-6-12-18(19)20-17/h2-14H,1H3
InChIKeyJVWQBHWCFLLGBX-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.31
Rot. Bonds4

About 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one

6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one (PubChem CID 163063060) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one.

Molecular Properties

Compound Name6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one
PubChem CID163063060
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one
SMILESCC(C=Cc1cccc(=O)o1)=CC=Cc1ccccc1
InChIInChI=1S/C18H16O2/c1-15(7-5-10-16-8-3-2-4-9-16)13-14-17-11-6-12-18(19)20-17/h2-14H,1H3
InChIKeyJVWQBHWCFLLGBX-UHFFFAOYSA-N
XLogP4.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
4-methylpenta-1,3-dienylbenzene
CID 3614395
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
6-[(E,4S)-4-hydroxy-3-oxopent-1-enyl]pyran-2-one
CID 134163447
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
6-(3,4-dihydroxypent-1-enyl)pyran-2-one
CID 75110869
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one?
The IUPAC name of 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one (CID 163063060) is 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one.
What is the SMILES notation for 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one?
The canonical SMILES for 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one is CC(C=Cc1cccc(=O)o1)=CC=Cc1ccccc1.
What is the InChIKey of 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one?
The InChIKey is JVWQBHWCFLLGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-15(7-5-10-16-8-3-2-4-9-16)13-14-17-11-6-12-18(19)20-17/h2-14H,1H3.
What are the key properties of 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one?
6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one has a molecular weight of 264.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-6-phenylhexa-1,3,5-trienyl)pyran-2-one is sourced from PubChem (CID 163063060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).