2-[(E)-3-phenylhept-1-enoxy]ethanol

C15H22O2 — CID 10633471

IUPAC2-[(E)-3-phenylhept-1-enoxy]ethanol
SMILESCCCCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-7-15(10-12-17-13-11-16)14-8-5-4-6-9-14/h4-6,8-10,12,15-16H,2-3,7,11,13H2,1H3/b12-10+
InChIKeyWXJLYXATMZDJOD-ZRDIBKRKSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds8

About 2-[(E)-3-phenylhept-1-enoxy]ethanol

2-[(E)-3-phenylhept-1-enoxy]ethanol (PubChem CID 10633471) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(E)-3-phenylhept-1-enoxy]ethanol.

Molecular Properties

Compound Name2-[(E)-3-phenylhept-1-enoxy]ethanol
PubChem CID10633471
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(E)-3-phenylhept-1-enoxy]ethanol
SMILESCCCCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-7-15(10-12-17-13-11-16)14-8-5-4-6-9-14/h4-6,8-10,12,15-16H,2-3,7,11,13H2,1H3/b12-10+
InChIKeyWXJLYXATMZDJOD-ZRDIBKRKSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-4-phenylhex-2-en-1-ol
CID 19931122
(E)-2-Methyl-4-phenylpent-2-ene-1-ol
CID 71626582
2-(3-Phenylpropoxy)ethanol
CID 23045260
(Z)-4-methyl-3-phenylpent-2-en-1-ol
CID 11084416
(E)-3-phenyl-4-methyl-2-pentenol
CID 11745162
1-Hydroxy-5-methoxy-3-phenylpentane
CID 542519
(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol
CID 10752180
4-benzyl-4H-pyran
CID 11030295
[(E)-6-methoxyhex-5-enyl]benzene
CID 15155292
(E)-3-methoxy-4-phenylpent-3-en-1-ol
CID 15270420
(E)-5-methyl-3-phenylhex-2-en-1-ol
CID 135084146
(Oxy)-isopropenyl benzene
CID 14528528

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylhept-1-enoxy]ethanol?
The IUPAC name of 2-[(E)-3-phenylhept-1-enoxy]ethanol (CID 10633471) is 2-[(E)-3-phenylhept-1-enoxy]ethanol.
What is the SMILES notation for 2-[(E)-3-phenylhept-1-enoxy]ethanol?
The canonical SMILES for 2-[(E)-3-phenylhept-1-enoxy]ethanol is CCCCC(/C=C/OCCO)c1ccccc1.
What is the InChIKey of 2-[(E)-3-phenylhept-1-enoxy]ethanol?
The InChIKey is WXJLYXATMZDJOD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-7-15(10-12-17-13-11-16)14-8-5-4-6-9-14/h4-6,8-10,12,15-16H,2-3,7,11,13H2,1H3/b12-10+.
What are the key properties of 2-[(E)-3-phenylhept-1-enoxy]ethanol?
2-[(E)-3-phenylhept-1-enoxy]ethanol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylhept-1-enoxy]ethanol is sourced from PubChem (CID 10633471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).