3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one

C17H18O — CID 71404219

IUPAC3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one
SMILESCC(=O)C(C)=CC=CC=CC=Cc1ccccc1
InChIInChI=1S/C17H18O/c1-15(16(2)18)11-7-4-3-5-8-12-17-13-9-6-10-14-17/h3-14H,1-2H3
InChIKeyTZVBCIJULAXOAZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.35
Rot. Bonds5

About 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one

3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one (PubChem CID 71404219) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one.

Molecular Properties

Compound Name3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one
PubChem CID71404219
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one
SMILESCC(=O)C(C)=CC=CC=CC=Cc1ccccc1
InChIInChI=1S/C17H18O/c1-15(16(2)18)11-7-4-3-5-8-12-17-13-9-6-10-14-17/h3-14H,1-2H3
InChIKeyTZVBCIJULAXOAZ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
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N-hydroxy-7-phenylhepta-2,4,6-trienamide
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CID 575621
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one?
The IUPAC name of 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one (CID 71404219) is 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one.
What is the SMILES notation for 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one?
The canonical SMILES for 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one is CC(=O)C(C)=CC=CC=CC=Cc1ccccc1.
What is the InChIKey of 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one?
The InChIKey is TZVBCIJULAXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-15(16(2)18)11-7-4-3-5-8-12-17-13-9-6-10-14-17/h3-14H,1-2H3.
What are the key properties of 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one?
3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one has a molecular weight of 238.33 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one is sourced from PubChem (CID 71404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).