4-phenylmethoxynonadecan-1-ol

C26H46O2 — CID 15735676

IUPAC4-phenylmethoxynonadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CCCO)OCc1ccccc1
InChIInChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-21-26(22-18-23-27)28-24-25-19-15-14-16-20-25/h14-16,19-20,26-27H,2-13,17-18,21-24H2,1H3
InChIKeyLURPZSNEDTVDCQ-UHFFFAOYSA-N
MW390.65 g/mol
LogP7.83
Rot. Bonds20

About 4-phenylmethoxynonadecan-1-ol

4-phenylmethoxynonadecan-1-ol (PubChem CID 15735676) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 4-phenylmethoxynonadecan-1-ol.

Molecular Properties

Compound Name4-phenylmethoxynonadecan-1-ol
PubChem CID15735676
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name4-phenylmethoxynonadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CCCO)OCc1ccccc1
InChIInChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-21-26(22-18-23-27)28-24-25-19-15-14-16-20-25/h14-16,19-20,26-27H,2-13,17-18,21-24H2,1H3
InChIKeyLURPZSNEDTVDCQ-UHFFFAOYSA-N
XLogP7.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
3-(2-phenylmethoxyhexadecoxy)propane-1,2-diol
CID 23238760
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide
CID 161205386
5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
1-phenylmethoxydecan-1-ol
CID 152749890

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxynonadecan-1-ol?
The IUPAC name of 4-phenylmethoxynonadecan-1-ol (CID 15735676) is 4-phenylmethoxynonadecan-1-ol.
What is the SMILES notation for 4-phenylmethoxynonadecan-1-ol?
The canonical SMILES for 4-phenylmethoxynonadecan-1-ol is CCCCCCCCCCCCCCCC(CCCO)OCc1ccccc1.
What is the InChIKey of 4-phenylmethoxynonadecan-1-ol?
The InChIKey is LURPZSNEDTVDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-21-26(22-18-23-27)28-24-25-19-15-14-16-20-25/h14-16,19-20,26-27H,2-13,17-18,21-24H2,1H3.
What are the key properties of 4-phenylmethoxynonadecan-1-ol?
4-phenylmethoxynonadecan-1-ol has a molecular weight of 390.65 g/mol, XLogP of 7.83, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxynonadecan-1-ol is sourced from PubChem (CID 15735676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).