13-phenyl-4-phenylmethoxytridecan-1-ol

C26H38O2 — CID 15735700

IUPAC13-phenyl-4-phenylmethoxytridecan-1-ol
SMILESOCCCC(CCCCCCCCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H38O2/c27-22-14-21-26(28-23-25-18-11-7-12-19-25)20-13-5-3-1-2-4-8-15-24-16-9-6-10-17-24/h6-7,9-12,16-19,26-27H,1-5,8,13-15,20-23H2
InChIKeyQVLLSTDWNMYJFY-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.71
Rot. Bonds16

About 13-phenyl-4-phenylmethoxytridecan-1-ol

13-phenyl-4-phenylmethoxytridecan-1-ol (PubChem CID 15735700) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 13-phenyl-4-phenylmethoxytridecan-1-ol.

Molecular Properties

Compound Name13-phenyl-4-phenylmethoxytridecan-1-ol
PubChem CID15735700
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name13-phenyl-4-phenylmethoxytridecan-1-ol
SMILESOCCCC(CCCCCCCCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H38O2/c27-22-14-21-26(28-23-25-18-11-7-12-19-25)20-13-5-3-1-2-4-8-15-24-16-9-6-10-17-24/h6-7,9-12,16-19,26-27H,1-5,8,13-15,20-23H2
InChIKeyQVLLSTDWNMYJFY-UHFFFAOYSA-N
XLogP6.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.71
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

4-phenylmethoxynonadecan-1-ol
CID 15735676
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
18-hydroxy-11-phenylmethoxyoctadecanoic acid
CID 101300347
(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
8-phenyl-5-propan-2-yloxyoctan-1-ol
CID 11173113
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
15-phenylpentadecane-1,1-diol
CID 139927269

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-4-phenylmethoxytridecan-1-ol?
The IUPAC name of 13-phenyl-4-phenylmethoxytridecan-1-ol (CID 15735700) is 13-phenyl-4-phenylmethoxytridecan-1-ol.
What is the SMILES notation for 13-phenyl-4-phenylmethoxytridecan-1-ol?
The canonical SMILES for 13-phenyl-4-phenylmethoxytridecan-1-ol is OCCCC(CCCCCCCCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 13-phenyl-4-phenylmethoxytridecan-1-ol?
The InChIKey is QVLLSTDWNMYJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c27-22-14-21-26(28-23-25-18-11-7-12-19-25)20-13-5-3-1-2-4-8-15-24-16-9-6-10-17-24/h6-7,9-12,16-19,26-27H,1-5,8,13-15,20-23H2.
What are the key properties of 13-phenyl-4-phenylmethoxytridecan-1-ol?
13-phenyl-4-phenylmethoxytridecan-1-ol has a molecular weight of 382.59 g/mol, XLogP of 6.71, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-4-phenylmethoxytridecan-1-ol is sourced from PubChem (CID 15735700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).