8-hydroxy-1-phenyloct-2-en-1-one

C14H18O2 — CID 86086024

IUPAC8-hydroxy-1-phenyloct-2-en-1-one
SMILESO=C(C=CCCCCCO)c1ccccc1
InChIInChI=1S/C14H18O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h4-7,9-11,15H,1-3,8,12H2
InChIKeyMYTWQMRFQRIUEF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.98
Rot. Bonds7

About 8-hydroxy-1-phenyloct-2-en-1-one

8-hydroxy-1-phenyloct-2-en-1-one (PubChem CID 86086024) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-hydroxy-1-phenyloct-2-en-1-one.

Molecular Properties

Compound Name8-hydroxy-1-phenyloct-2-en-1-one
PubChem CID86086024
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name8-hydroxy-1-phenyloct-2-en-1-one
SMILESO=C(C=CCCCCCO)c1ccccc1
InChIInChI=1S/C14H18O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h4-7,9-11,15H,1-3,8,12H2
InChIKeyMYTWQMRFQRIUEF-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.98
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

(E)-8-oxo-8-phenyloct-6-enenitrile
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1-phenyldeca-2,7,9-trien-1-one
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[(Z)-7-oxo-7-phenylhept-5-enyl] acetate
CID 101049476
CID 134837634
CID 134837634
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
CID 138977313
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one
CID 10734633
(E)-9-phenylnon-8-en-1-ol
CID 10489025
(E)-6-(3-methyl-1H-indol-2-yl)-1-phenylhex-2-en-1-one
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(E)-1-(4-bromophenyl)dec-2-en-1-one
CID 122377174

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-phenyloct-2-en-1-one?
The IUPAC name of 8-hydroxy-1-phenyloct-2-en-1-one (CID 86086024) is 8-hydroxy-1-phenyloct-2-en-1-one.
What is the SMILES notation for 8-hydroxy-1-phenyloct-2-en-1-one?
The canonical SMILES for 8-hydroxy-1-phenyloct-2-en-1-one is O=C(C=CCCCCCO)c1ccccc1.
What is the InChIKey of 8-hydroxy-1-phenyloct-2-en-1-one?
The InChIKey is MYTWQMRFQRIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h4-7,9-11,15H,1-3,8,12H2.
What are the key properties of 8-hydroxy-1-phenyloct-2-en-1-one?
8-hydroxy-1-phenyloct-2-en-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-phenyloct-2-en-1-one is sourced from PubChem (CID 86086024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).