3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol

C22H38O7 — CID 101186612

IUPAC3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol
SMILESOCCCOCC(COCCCO)(COCCCO)OCCCc1ccccc1
InChIInChI=1S/C22H38O7/c23-11-5-14-26-18-22(19-27-15-6-12-24,20-28-16-7-13-25)29-17-4-10-21-8-2-1-3-9-21/h1-3,8-9,23-25H,4-7,10-20H2
InChIKeyLRADZTQSESNFGS-UHFFFAOYSA-N
MW414.54 g/mol
LogP1.57
Rot. Bonds20

About 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol

3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol (PubChem CID 101186612) has the molecular formula C22H38O7 and a molecular weight of 414.54 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol
PubChem CID101186612
Molecular FormulaC22H38O7
Molecular Weight414.54 g/mol
Exact Mass414.26
IUPAC Name3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol
SMILESOCCCOCC(COCCCO)(COCCCO)OCCCc1ccccc1
InChIInChI=1S/C22H38O7/c23-11-5-14-26-18-22(19-27-15-6-12-24,20-28-16-7-13-25)29-17-4-10-21-8-2-1-3-9-21/h1-3,8-9,23-25H,4-7,10-20H2
InChIKeyLRADZTQSESNFGS-UHFFFAOYSA-N
XLogP1.57
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-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

4,4,5,5-tetrafluoro-6-(3-phenylpropoxy)hexan-1-ol
CID 86658311
2-(hydroxymethyl)-2-(13-phenyltridecoxymethyl)propane-1,3-diol
CID 175512316
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
3-decoxypropylbenzene
CID 150065328
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-(3-phenylpropoxymethyl)prop-2-ene-1-thiol
CID 103073807

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol (CID 101186612) is 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol is OCCCOCC(COCCCO)(COCCCO)OCCCc1ccccc1.
What is the InChIKey of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol?
The InChIKey is LRADZTQSESNFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O7/c23-11-5-14-26-18-22(19-27-15-6-12-24,20-28-16-7-13-25)29-17-4-10-21-8-2-1-3-9-21/h1-3,8-9,23-25H,4-7,10-20H2.
What are the key properties of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol?
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol has a molecular weight of 414.54 g/mol, XLogP of 1.57, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-(3-phenylpropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 101186612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).