1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol

C16H26O6 — CID 139698254

IUPAC1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(COCC(C)O)c(CO)c1
InChIInChI=1S/C16H26O6/c1-12(18)9-20-5-6-22-16-4-3-14(15(7-16)8-17)11-21-10-13(2)19/h3-4,7,12-13,17-19H,5-6,8-11H2,1-2H3
InChIKeyUYNIZQRRPHMQRV-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.85
Rot. Bonds11

About 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol

1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol (PubChem CID 139698254) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol
PubChem CID139698254
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(COCC(C)O)c(CO)c1
InChIInChI=1S/C16H26O6/c1-12(18)9-20-5-6-22-16-4-3-14(15(7-16)8-17)11-21-10-13(2)19/h3-4,7,12-13,17-19H,5-6,8-11H2,1-2H3
InChIKeyUYNIZQRRPHMQRV-UHFFFAOYSA-N
XLogP0.85
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol 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-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
CID 139698251
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
1-[2-[3-(2-hydroxyethyl)-5-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
CID 139698276
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile
CID 106446731
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol (CID 139698254) is 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol is CC(O)COCCOc1ccc(COCC(C)O)c(CO)c1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol?
The InChIKey is UYNIZQRRPHMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-12(18)9-20-5-6-22-16-4-3-14(15(7-16)8-17)11-21-10-13(2)19/h3-4,7,12-13,17-19H,5-6,8-11H2,1-2H3.
What are the key properties of 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol?
1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol has a molecular weight of 314.38 g/mol, XLogP of 0.85, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 139698254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).