1-hydroxy-2-phenylnon-4-en-3-one

C15H20O2 — CID 174733237

IUPAC1-hydroxy-2-phenylnon-4-en-3-one
SMILESCCCCC=CC(=O)C(CO)c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-4-8-11-15(17)14(12-16)13-9-6-5-7-10-13/h5-11,14,16H,2-4,12H2,1H3
InChIKeyCBSBFZBXFRKCED-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.08
Rot. Bonds7

About 1-hydroxy-2-phenylnon-4-en-3-one

1-hydroxy-2-phenylnon-4-en-3-one (PubChem CID 174733237) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-hydroxy-2-phenylnon-4-en-3-one.

Molecular Properties

Compound Name1-hydroxy-2-phenylnon-4-en-3-one
PubChem CID174733237
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-hydroxy-2-phenylnon-4-en-3-one
SMILESCCCCC=CC(=O)C(CO)c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-4-8-11-15(17)14(12-16)13-9-6-5-7-10-13/h5-11,14,16H,2-4,12H2,1H3
InChIKeyCBSBFZBXFRKCED-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,2R)-2-phenyloct-3-en-1-ol
CID 11106477
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
acetic acid;2-methylnon-4-en-3-one;2-methyl-1-phenylpropan-2-ol
CID 175342063
5-hydroxy-4-[4-[N-[4-(1-hydroxy-3-oxopent-4-en-2-yl)phenyl]-4-(1-phenylethyl)anilino]phenyl]pent-1-en-3-one
CID 89279226
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol
CID 16725114
benzhydryl (E)-2-methyloct-3-enoate
CID 70209962
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
CID 87209027
CID 87209027
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-phenylnon-4-en-3-one?
The IUPAC name of 1-hydroxy-2-phenylnon-4-en-3-one (CID 174733237) is 1-hydroxy-2-phenylnon-4-en-3-one.
What is the SMILES notation for 1-hydroxy-2-phenylnon-4-en-3-one?
The canonical SMILES for 1-hydroxy-2-phenylnon-4-en-3-one is CCCCC=CC(=O)C(CO)c1ccccc1.
What is the InChIKey of 1-hydroxy-2-phenylnon-4-en-3-one?
The InChIKey is CBSBFZBXFRKCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-8-11-15(17)14(12-16)13-9-6-5-7-10-13/h5-11,14,16H,2-4,12H2,1H3.
What are the key properties of 1-hydroxy-2-phenylnon-4-en-3-one?
1-hydroxy-2-phenylnon-4-en-3-one has a molecular weight of 232.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-phenylnon-4-en-3-one is sourced from PubChem (CID 174733237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).