(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one

C20H22O2 — CID 138977313

IUPAC(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
SMILESCC(O)(CCC/C=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O2/c1-20(22,18-13-7-3-8-14-18)16-10-4-9-15-19(21)17-11-5-2-6-12-17/h2-3,5-9,11-15,22H,4,10,16H2,1H3/b15-9+
InChIKeyZGVRMIIXNLIOEV-OQLLNIDSSA-N
MW294.39 g/mol
LogP4.50
Rot. Bonds7

About (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one

(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one (PubChem CID 138977313) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one.

Molecular Properties

Compound Name(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
PubChem CID138977313
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
SMILESCC(O)(CCC/C=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O2/c1-20(22,18-13-7-3-8-14-18)16-10-4-9-15-19(21)17-11-5-2-6-12-17/h2-3,5-9,11-15,22H,4,10,16H2,1H3/b15-9+
InChIKeyZGVRMIIXNLIOEV-OQLLNIDSSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.50
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

8-hydroxy-1-phenyloct-2-en-1-one
CID 86086024
1-phenyldeca-2,7,9-trien-1-one
CID 71347729
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
[(Z)-7-oxo-7-phenylhept-5-enyl] acetate
CID 101049476
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(E)-8-oxo-8-phenyloct-6-enenitrile
CID 11321833
CID 134837634
CID 134837634
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(Z)-1-phenyl-3-tris(2-methyl-2-phenylpropyl)stannylprop-2-en-1-one
CID 11262273
(E)-7-anthracen-9-yl-7-hydroxy-1-phenylhept-2-en-1-one
CID 138977315
(E)-8-(4-methylphenyl)-1-phenyloct-2-en-7-yn-1-one
CID 135078979
3-(3,5-ditert-butylphenyl)-1-phenylprop-2-en-1-one
CID 5154900

Frequently Asked Questions

What is the IUPAC name of (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one?
The IUPAC name of (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one (CID 138977313) is (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one.
What is the SMILES notation for (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one?
The canonical SMILES for (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one is CC(O)(CCC/C=C/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one?
The InChIKey is ZGVRMIIXNLIOEV-OQLLNIDSSA-N. The full InChI is InChI=1S/C20H22O2/c1-20(22,18-13-7-3-8-14-18)16-10-4-9-15-19(21)17-11-5-2-6-12-17/h2-3,5-9,11-15,22H,4,10,16H2,1H3/b15-9+.
What are the key properties of (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one?
(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-hydroxy-1,7-diphenyloct-2-en-1-one is sourced from PubChem (CID 138977313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).