3-(2-hydroxy-3-tetradecoxypropoxy)phenol

C23H40O4 — CID 154641775

IUPAC3-(2-hydroxy-3-tetradecoxypropoxy)phenol
SMILESCCCCCCCCCCCCCCOCC(O)COc1cccc(O)c1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-19-22(25)20-27-23-16-14-15-21(24)18-23/h14-16,18,22,24-25H,2-13,17,19-20H2,1H3
InChIKeyLBRDGAKNDMBLQI-UHFFFAOYSA-N
MW380.57 g/mol
LogP5.85
Rot. Bonds18

About 3-(2-hydroxy-3-tetradecoxypropoxy)phenol

3-(2-hydroxy-3-tetradecoxypropoxy)phenol (PubChem CID 154641775) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 3-(2-hydroxy-3-tetradecoxypropoxy)phenol.

Molecular Properties

Compound Name3-(2-hydroxy-3-tetradecoxypropoxy)phenol
PubChem CID154641775
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name3-(2-hydroxy-3-tetradecoxypropoxy)phenol
SMILESCCCCCCCCCCCCCCOCC(O)COc1cccc(O)c1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-19-22(25)20-27-23-16-14-15-21(24)18-23/h14-16,18,22,24-25H,2-13,17,19-20H2,1H3
InChIKeyLBRDGAKNDMBLQI-UHFFFAOYSA-N
XLogP5.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxy-3-tetradecoxypropoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
3-dodecoxyphenol
CID 15719132
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
CID 10960272
formic acid;3-hexoxyphenol
CID 174800460
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-tetradecoxypropoxy)phenol?
The IUPAC name of 3-(2-hydroxy-3-tetradecoxypropoxy)phenol (CID 154641775) is 3-(2-hydroxy-3-tetradecoxypropoxy)phenol.
What is the SMILES notation for 3-(2-hydroxy-3-tetradecoxypropoxy)phenol?
The canonical SMILES for 3-(2-hydroxy-3-tetradecoxypropoxy)phenol is CCCCCCCCCCCCCCOCC(O)COc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxy-3-tetradecoxypropoxy)phenol?
The InChIKey is LBRDGAKNDMBLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-19-22(25)20-27-23-16-14-15-21(24)18-23/h14-16,18,22,24-25H,2-13,17,19-20H2,1H3.
What are the key properties of 3-(2-hydroxy-3-tetradecoxypropoxy)phenol?
3-(2-hydroxy-3-tetradecoxypropoxy)phenol has a molecular weight of 380.57 g/mol, XLogP of 5.85, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-tetradecoxypropoxy)phenol is sourced from PubChem (CID 154641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).