1-phenoxytetradecan-2-ol

C20H34O2 — CID 11609222

IUPAC1-phenoxytetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccccc1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-12-15-19(21)18-22-20-16-13-11-14-17-20/h11,13-14,16-17,19,21H,2-10,12,15,18H2,1H3
InChIKeyWWPKERGGWYAURZ-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.74
Rot. Bonds14

About 1-phenoxytetradecan-2-ol

1-phenoxytetradecan-2-ol (PubChem CID 11609222) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-phenoxytetradecan-2-ol.

Molecular Properties

Compound Name1-phenoxytetradecan-2-ol
PubChem CID11609222
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-phenoxytetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccccc1
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-12-15-19(21)18-22-20-16-13-11-14-17-20/h11,13-14,16-17,19,21H,2-10,12,15,18H2,1H3
InChIKeyWWPKERGGWYAURZ-UHFFFAOYSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.74
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

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1-(3-chlorophenoxy)undecan-2-ol
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tris[[4-(2-hydroxytetradecoxy)phenyl]-phenyl-λ3-iodanyl] stiborate
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1-(4-butan-2-ylphenoxy)decan-2-ol
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CID 163303723
2,6-dimethyltetradecoxybenzene
CID 163303720
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
[4-(2-hydroxytetradecoxy)phenyl]-(4-methylphenyl)iodanium
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N-methyl-1-phenoxynonan-2-amine
CID 63416660

Frequently Asked Questions

What is the IUPAC name of 1-phenoxytetradecan-2-ol?
The IUPAC name of 1-phenoxytetradecan-2-ol (CID 11609222) is 1-phenoxytetradecan-2-ol.
What is the SMILES notation for 1-phenoxytetradecan-2-ol?
The canonical SMILES for 1-phenoxytetradecan-2-ol is CCCCCCCCCCCCC(O)COc1ccccc1.
What is the InChIKey of 1-phenoxytetradecan-2-ol?
The InChIKey is WWPKERGGWYAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-12-15-19(21)18-22-20-16-13-11-14-17-20/h11,13-14,16-17,19,21H,2-10,12,15,18H2,1H3.
What are the key properties of 1-phenoxytetradecan-2-ol?
1-phenoxytetradecan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxytetradecan-2-ol is sourced from PubChem (CID 11609222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).