(E)-5-hydroxy-1-phenylnon-1-en-3-one

C15H20O2 — CID 11264760

IUPAC(E)-5-hydroxy-1-phenylnon-1-en-3-one
SMILESCCCCC(O)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8,10-11,14,16H,2-3,9,12H2,1H3/b11-10+
InChIKeyBHLYIQOZTUMPIJ-ZHACJKMWSA-N
MW232.32 g/mol
LogP3.21
Rot. Bonds7

About (E)-5-hydroxy-1-phenylnon-1-en-3-one

(E)-5-hydroxy-1-phenylnon-1-en-3-one (PubChem CID 11264760) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-5-hydroxy-1-phenylnon-1-en-3-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1-phenylnon-1-en-3-one
PubChem CID11264760
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(E)-5-hydroxy-1-phenylnon-1-en-3-one
SMILESCCCCC(O)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8,10-11,14,16H,2-3,9,12H2,1H3/b11-10+
InChIKeyBHLYIQOZTUMPIJ-ZHACJKMWSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
1-(3,4-dihydroxyphenyl)-5-hydroxytetradec-1-en-3-one
CID 54237257
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
2-butylhexyl (E)-3-phenylprop-2-enoate
CID 175008206
(E)-6,6,6-trifluoro-5-hydroxy-1-phenylhex-1-en-3-one
CID 15255295
1,5-diphenyloct-1-ene-3,6-dione
CID 71384497
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
phenyl 3-hydroxyheptanoate
CID 174418768

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1-phenylnon-1-en-3-one?
The IUPAC name of (E)-5-hydroxy-1-phenylnon-1-en-3-one (CID 11264760) is (E)-5-hydroxy-1-phenylnon-1-en-3-one.
What is the SMILES notation for (E)-5-hydroxy-1-phenylnon-1-en-3-one?
The canonical SMILES for (E)-5-hydroxy-1-phenylnon-1-en-3-one is CCCCC(O)CC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-5-hydroxy-1-phenylnon-1-en-3-one?
The InChIKey is BHLYIQOZTUMPIJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-9-14(16)12-15(17)11-10-13-7-5-4-6-8-13/h4-8,10-11,14,16H,2-3,9,12H2,1H3/b11-10+.
What are the key properties of (E)-5-hydroxy-1-phenylnon-1-en-3-one?
(E)-5-hydroxy-1-phenylnon-1-en-3-one has a molecular weight of 232.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1-phenylnon-1-en-3-one is sourced from PubChem (CID 11264760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).