14-phenoxytetradecane-1,13-diol

C20H34O3 — CID 123918890

IUPAC14-phenoxytetradecane-1,13-diol
SMILESOCCCCCCCCCCCCC(O)COc1ccccc1
InChIInChI=1S/C20H34O3/c21-17-13-8-6-4-2-1-3-5-7-10-14-19(22)18-23-20-15-11-9-12-16-20/h9,11-12,15-16,19,21-22H,1-8,10,13-14,17-18H2
InChIKeyLUBJJQDDKHRFOO-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.71
Rot. Bonds15

About 14-phenoxytetradecane-1,13-diol

14-phenoxytetradecane-1,13-diol (PubChem CID 123918890) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 14-phenoxytetradecane-1,13-diol.

Molecular Properties

Compound Name14-phenoxytetradecane-1,13-diol
PubChem CID123918890
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name14-phenoxytetradecane-1,13-diol
SMILESOCCCCCCCCCCCCC(O)COc1ccccc1
InChIInChI=1S/C20H34O3/c21-17-13-8-6-4-2-1-3-5-7-10-14-19(22)18-23-20-15-11-9-12-16-20/h9,11-12,15-16,19,21-22H,1-8,10,13-14,17-18H2
InChIKeyLUBJJQDDKHRFOO-UHFFFAOYSA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.71
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

1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
7-phenoxyheptan-1-ol
CID 15856264
6-phenoxyhexane-1,3-diol
CID 71343394
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of 14-phenoxytetradecane-1,13-diol?
The IUPAC name of 14-phenoxytetradecane-1,13-diol (CID 123918890) is 14-phenoxytetradecane-1,13-diol.
What is the SMILES notation for 14-phenoxytetradecane-1,13-diol?
The canonical SMILES for 14-phenoxytetradecane-1,13-diol is OCCCCCCCCCCCCC(O)COc1ccccc1.
What is the InChIKey of 14-phenoxytetradecane-1,13-diol?
The InChIKey is LUBJJQDDKHRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c21-17-13-8-6-4-2-1-3-5-7-10-14-19(22)18-23-20-15-11-9-12-16-20/h9,11-12,15-16,19,21-22H,1-8,10,13-14,17-18H2.
What are the key properties of 14-phenoxytetradecane-1,13-diol?
14-phenoxytetradecane-1,13-diol has a molecular weight of 322.49 g/mol, XLogP of 4.71, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenoxytetradecane-1,13-diol is sourced from PubChem (CID 123918890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).