2-phenoxyethanol;tetradecan-1-ol

C22H40O3 — CID 118450850

IUPAC2-phenoxyethanol;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.OCCOc1ccccc1
InChIInChI=1S/C14H30O.C8H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;9-6-7-10-8-4-2-1-3-5-8/h15H,2-14H2,1H3;1-5,9H,6-7H2
InChIKeyNWUAEJHWXCDPFF-UHFFFAOYSA-N
MW352.56 g/mol
LogP5.74
Rot. Bonds15

About 2-phenoxyethanol;tetradecan-1-ol

2-phenoxyethanol;tetradecan-1-ol (PubChem CID 118450850) has the molecular formula C22H40O3 and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-phenoxyethanol;tetradecan-1-ol.

Molecular Properties

Compound Name2-phenoxyethanol;tetradecan-1-ol
PubChem CID118450850
Molecular FormulaC22H40O3
Molecular Weight352.56 g/mol
Exact Mass352.30
IUPAC Name2-phenoxyethanol;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.OCCOc1ccccc1
InChIInChI=1S/C14H30O.C8H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;9-6-7-10-8-4-2-1-3-5-8/h15H,2-14H2,1H3;1-5,9H,6-7H2
InChIKeyNWUAEJHWXCDPFF-UHFFFAOYSA-N
XLogP5.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-(4-phenoxyphenoxy)pentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethanol;tetradecan-1-ol?
The IUPAC name of 2-phenoxyethanol;tetradecan-1-ol (CID 118450850) is 2-phenoxyethanol;tetradecan-1-ol.
What is the SMILES notation for 2-phenoxyethanol;tetradecan-1-ol?
The canonical SMILES for 2-phenoxyethanol;tetradecan-1-ol is CCCCCCCCCCCCCCO.OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethanol;tetradecan-1-ol?
The InChIKey is NWUAEJHWXCDPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C8H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;9-6-7-10-8-4-2-1-3-5-8/h15H,2-14H2,1H3;1-5,9H,6-7H2.
What are the key properties of 2-phenoxyethanol;tetradecan-1-ol?
2-phenoxyethanol;tetradecan-1-ol has a molecular weight of 352.56 g/mol, XLogP of 5.74, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethanol;tetradecan-1-ol is sourced from PubChem (CID 118450850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).