2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol

C15H20O4 — CID 166304036

IUPAC2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
SMILESC#CCOCCOCCOc1ccc(CCO)cc1
InChIInChI=1S/C15H20O4/c1-2-9-17-10-11-18-12-13-19-15-5-3-14(4-6-15)7-8-16/h1,3-6,16H,7-13H2
InChIKeyCKDZMBCWMCSZNL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds10

About 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol

2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol (PubChem CID 166304036) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
PubChem CID166304036
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
SMILESC#CCOCCOCCOc1ccc(CCO)cc1
InChIInChI=1S/C15H20O4/c1-2-9-17-10-11-18-12-13-19-15-5-3-14(4-6-15)7-8-16/h1,3-6,16H,7-13H2
InChIKeyCKDZMBCWMCSZNL-UHFFFAOYSA-N
XLogP1.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol 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-(2-prop-2-ynoxyethoxy)phenyl]methanol
CID 155391194
1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 53342216
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-nitro-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 171646680
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
2-methyl-3-[4-[2-[4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]propan-1-ol
CID 161230478
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol (CID 166304036) is 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol is C#CCOCCOCCOc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol?
The InChIKey is CKDZMBCWMCSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-9-17-10-11-18-12-13-19-15-5-3-14(4-6-15)7-8-16/h1,3-6,16H,7-13H2.
What are the key properties of 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol?
2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 166304036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).