1-phenoxyhexadecan-1-ol

C22H38O2 — CID 140512988

IUPAC1-phenoxyhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Oc1ccccc1
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h14-16,18-19,22-23H,2-13,17,20H2,1H3
InChIKeyZILBGXKPLLVGQL-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.87
Rot. Bonds16

About 1-phenoxyhexadecan-1-ol

1-phenoxyhexadecan-1-ol (PubChem CID 140512988) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-phenoxyhexadecan-1-ol.

Molecular Properties

Compound Name1-phenoxyhexadecan-1-ol
PubChem CID140512988
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1-phenoxyhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Oc1ccccc1
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h14-16,18-19,22-23H,2-13,17,20H2,1H3
InChIKeyZILBGXKPLLVGQL-UHFFFAOYSA-N
XLogP6.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetracosan-8-yloxybenzene
CID 154135377
1-[4-(4-methylphenyl)phenoxy]decan-1-ol
CID 175704689
decan-2-yloxybenzene
CID 12838331
undecan-6-yloxybenzene
CID 130316504
1-(1-phenoxynonoxy)ethanol
CID 70629643
5,5-dimethyl-1-phenoxyhexan-1-ol
CID 67934695
4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
3-[4-(1-hydroxyoctoxy)phenyl]-1-phenylprop-2-en-1-one
CID 151136229
4-(1-hydroxyundecoxy)benzamide
CID 67763427
1-methoxydecoxybenzene
CID 24977925
1-(2-phenoxydecoxy)ethanol
CID 69066857
1-(4-octylphenoxy)pentane-1,5-diol
CID 67675377

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyhexadecan-1-ol?
The IUPAC name of 1-phenoxyhexadecan-1-ol (CID 140512988) is 1-phenoxyhexadecan-1-ol.
What is the SMILES notation for 1-phenoxyhexadecan-1-ol?
The canonical SMILES for 1-phenoxyhexadecan-1-ol is CCCCCCCCCCCCCCCC(O)Oc1ccccc1.
What is the InChIKey of 1-phenoxyhexadecan-1-ol?
The InChIKey is ZILBGXKPLLVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h14-16,18-19,22-23H,2-13,17,20H2,1H3.
What are the key properties of 1-phenoxyhexadecan-1-ol?
1-phenoxyhexadecan-1-ol has a molecular weight of 334.54 g/mol, XLogP of 6.87, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyhexadecan-1-ol is sourced from PubChem (CID 140512988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).