1-phenylnona-3,4-dien-2-one

C15H18O — CID 71537415

IUPAC1-phenylnona-3,4-dien-2-one
SMILESCCCCC=C=CC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3
InChIKeyYCZLQXONLUMSMM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.70
Rot. Bonds6

About 1-phenylnona-3,4-dien-2-one

1-phenylnona-3,4-dien-2-one (PubChem CID 71537415) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-phenylnona-3,4-dien-2-one.

Molecular Properties

Compound Name1-phenylnona-3,4-dien-2-one
PubChem CID71537415
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-phenylnona-3,4-dien-2-one
SMILESCCCCC=C=CC(=O)Cc1ccccc1
InChIInChI=1S/C15H18O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3
InChIKeyYCZLQXONLUMSMM-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzylocta-2,3-dienamide
CID 10998784
2-methylocta-2,3-dienylbenzene
CID 42604070
ethyl 2-benzylocta-2,3-dienoate
CID 11701627
butanal;1,3-diphenylpropan-2-one
CID 21492177
(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one
CID 162387444
ethyl 6-phenylhexa-2,3-dienoate
CID 122224690
(E)-2-benzyloct-2-enal
CID 23267291
hepta-1,2-dienylsulfinylbenzene
CID 11470056
1-phenylheptadecan-2-one
CID 12920609
octa-1,2-dienylbenzene
CID 12066892
N-(2-phenylacetyl)octadecanamide
CID 175258087
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of 1-phenylnona-3,4-dien-2-one?
The IUPAC name of 1-phenylnona-3,4-dien-2-one (CID 71537415) is 1-phenylnona-3,4-dien-2-one.
What is the SMILES notation for 1-phenylnona-3,4-dien-2-one?
The canonical SMILES for 1-phenylnona-3,4-dien-2-one is CCCCC=C=CC(=O)Cc1ccccc1.
What is the InChIKey of 1-phenylnona-3,4-dien-2-one?
The InChIKey is YCZLQXONLUMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3.
What are the key properties of 1-phenylnona-3,4-dien-2-one?
1-phenylnona-3,4-dien-2-one has a molecular weight of 214.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnona-3,4-dien-2-one is sourced from PubChem (CID 71537415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).