(E)-8-phenylmethoxyhexadec-2-en-1-ol

C23H38O2 — CID 68638312

IUPAC(E)-8-phenylmethoxyhexadec-2-en-1-ol
SMILESCCCCCCCCC(CCCC/C=C/CO)OCc1ccccc1
InChIInChI=1S/C23H38O2/c1-2-3-4-5-7-13-18-23(19-14-8-6-9-15-20-24)25-21-22-16-11-10-12-17-22/h9-12,15-17,23-24H,2-8,13-14,18-21H2,1H3/b15-9+
InChIKeyWREPQEXLQQUZRQ-OQLLNIDSSA-N
MW346.56 g/mol
LogP6.43
Rot. Bonds16

About (E)-8-phenylmethoxyhexadec-2-en-1-ol

(E)-8-phenylmethoxyhexadec-2-en-1-ol (PubChem CID 68638312) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is (E)-8-phenylmethoxyhexadec-2-en-1-ol.

Molecular Properties

Compound Name(E)-8-phenylmethoxyhexadec-2-en-1-ol
PubChem CID68638312
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name(E)-8-phenylmethoxyhexadec-2-en-1-ol
SMILESCCCCCCCCC(CCCC/C=C/CO)OCc1ccccc1
InChIInChI=1S/C23H38O2/c1-2-3-4-5-7-13-18-23(19-14-8-6-9-15-20-24)25-21-22-16-11-10-12-17-22/h9-12,15-17,23-24H,2-8,13-14,18-21H2,1H3/b15-9+
InChIKeyWREPQEXLQQUZRQ-OQLLNIDSSA-N
XLogP6.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxynonadecan-1-ol
CID 15735676
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
11-(20-hydroxyicos-18-en-10-yloxy)icos-2-en-1-ol
CID 57126628
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
3-(2-phenylmethoxyhexadecoxy)propane-1,2-diol
CID 23238760
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
(E,2R,3R)-2-phenylmethoxyoctadec-4-ene-1,3-diol
CID 11047429
5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
1-phenylmethoxydecan-1-ol
CID 152749890

Frequently Asked Questions

What is the IUPAC name of (E)-8-phenylmethoxyhexadec-2-en-1-ol?
The IUPAC name of (E)-8-phenylmethoxyhexadec-2-en-1-ol (CID 68638312) is (E)-8-phenylmethoxyhexadec-2-en-1-ol.
What is the SMILES notation for (E)-8-phenylmethoxyhexadec-2-en-1-ol?
The canonical SMILES for (E)-8-phenylmethoxyhexadec-2-en-1-ol is CCCCCCCCC(CCCC/C=C/CO)OCc1ccccc1.
What is the InChIKey of (E)-8-phenylmethoxyhexadec-2-en-1-ol?
The InChIKey is WREPQEXLQQUZRQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C23H38O2/c1-2-3-4-5-7-13-18-23(19-14-8-6-9-15-20-24)25-21-22-16-11-10-12-17-22/h9-12,15-17,23-24H,2-8,13-14,18-21H2,1H3/b15-9+.
What are the key properties of (E)-8-phenylmethoxyhexadec-2-en-1-ol?
(E)-8-phenylmethoxyhexadec-2-en-1-ol has a molecular weight of 346.56 g/mol, XLogP of 6.43, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-phenylmethoxyhexadec-2-en-1-ol is sourced from PubChem (CID 68638312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).