1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol

C13H20O4 — CID 61071633

IUPAC1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C13H20O4/c1-2-13(15)11-3-5-12(6-4-11)17-10-9-16-8-7-14/h3-6,13-15H,2,7-10H2,1H3
InChIKeyIQEUAQGOGUXJCG-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.52
Rot. Bonds8

About 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol

1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol (PubChem CID 61071633) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
PubChem CID61071633
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C13H20O4/c1-2-13(15)11-3-5-12(6-4-11)17-10-9-16-8-7-14/h3-6,13-15H,2,7-10H2,1H3
InChIKeyIQEUAQGOGUXJCG-UHFFFAOYSA-N
XLogP1.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]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

(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101082201
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol (CID 61071633) is 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol is CCC(O)c1ccc(OCCOCCO)cc1.
What is the InChIKey of 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol?
The InChIKey is IQEUAQGOGUXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-2-13(15)11-3-5-12(6-4-11)17-10-9-16-8-7-14/h3-6,13-15H,2,7-10H2,1H3.
What are the key properties of 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol?
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 61071633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).