1-phenylundec-1-en-3-one

C17H24O — CID 3805572

IUPAC1-phenylundec-1-en-3-one
SMILESCCCCCCCCC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-10-13-17(18)15-14-16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyIKJLIQNJILFDDF-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.02
Rot. Bonds9

About 1-phenylundec-1-en-3-one

1-phenylundec-1-en-3-one (PubChem CID 3805572) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-phenylundec-1-en-3-one.

Molecular Properties

Compound Name1-phenylundec-1-en-3-one
PubChem CID3805572
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-phenylundec-1-en-3-one
SMILESCCCCCCCCC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-10-13-17(18)15-14-16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyIKJLIQNJILFDDF-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.02
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

(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
2,8-dioxo-10-phenyldec-9-enoic acid
CID 166068161
(E)-9-amino-1-phenylnon-1-en-3-one
CID 140555712
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
tris(4-benzylidene-1-phenylheptadec-1-en-3-one);bis(palladium)
CID 173000326
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
bis(4-benzylidene-1-phenylheptadec-1-en-3-one);palladium
CID 87961389
2-(1-phenylpent-1-en-3-ylidene)octanoic acid
CID 87704389

Frequently Asked Questions

What is the IUPAC name of 1-phenylundec-1-en-3-one?
The IUPAC name of 1-phenylundec-1-en-3-one (CID 3805572) is 1-phenylundec-1-en-3-one.
What is the SMILES notation for 1-phenylundec-1-en-3-one?
The canonical SMILES for 1-phenylundec-1-en-3-one is CCCCCCCCC(=O)C=Cc1ccccc1.
What is the InChIKey of 1-phenylundec-1-en-3-one?
The InChIKey is IKJLIQNJILFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-3-4-5-6-10-13-17(18)15-14-16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3.
What are the key properties of 1-phenylundec-1-en-3-one?
1-phenylundec-1-en-3-one has a molecular weight of 244.38 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylundec-1-en-3-one is sourced from PubChem (CID 3805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).