1-(4-methoxyphenoxy)tetradecan-2-ol

C21H36O3 — CID 59993706

IUPAC1-(4-methoxyphenoxy)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-19(22)18-24-21-16-14-20(23-2)15-17-21/h14-17,19,22H,3-13,18H2,1-2H3
InChIKeyOYWCZLRUAVYDLB-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.75
Rot. Bonds15

About 1-(4-methoxyphenoxy)tetradecan-2-ol

1-(4-methoxyphenoxy)tetradecan-2-ol (PubChem CID 59993706) has the molecular formula C21H36O3 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)tetradecan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)tetradecan-2-ol
PubChem CID59993706
Molecular FormulaC21H36O3
Molecular Weight336.52 g/mol
Exact Mass336.27
IUPAC Name1-(4-methoxyphenoxy)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-19(22)18-24-21-16-14-20(23-2)15-17-21/h14-17,19,22H,3-13,18H2,1-2H3
InChIKeyOYWCZLRUAVYDLB-UHFFFAOYSA-N
XLogP5.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
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-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
CID 19362455
1-phenoxyheptan-2-ol
CID 12731443
1-(4-butan-2-ylphenoxy)decan-2-ol
CID 23396711
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
[4-(2-hydroxytetradecoxy)phenyl]-(4-methylphenyl)iodanium
CID 16689390
[3-[4-[3-[dimethyl(tetradecyl)azaniumyl]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-dimethyl-tetradecylazanium
CID 175684911
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)tetradecan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)tetradecan-2-ol (CID 59993706) is 1-(4-methoxyphenoxy)tetradecan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)tetradecan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)tetradecan-2-ol is CCCCCCCCCCCCC(O)COc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)tetradecan-2-ol?
The InChIKey is OYWCZLRUAVYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-19(22)18-24-21-16-14-20(23-2)15-17-21/h14-17,19,22H,3-13,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)tetradecan-2-ol?
1-(4-methoxyphenoxy)tetradecan-2-ol has a molecular weight of 336.52 g/mol, XLogP of 5.75, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)tetradecan-2-ol is sourced from PubChem (CID 59993706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).