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

C21H24O5 — CID 23298971

IUPAC1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(OC(C)OCCOCCO)cc1
InChIInChI=1S/C21H24O5/c1-3-21(23,18-7-5-4-6-8-18)19-9-11-20(12-10-19)26-17(2)25-16-15-24-14-13-22/h1,4-12,17,22-23H,13-16H2,2H3
InChIKeyWANSIQJSGFBMOD-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.31
Rot. Bonds10

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

1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol (PubChem CID 23298971) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol
PubChem CID23298971
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(OC(C)OCCOCCO)cc1
InChIInChI=1S/C21H24O5/c1-3-21(23,18-7-5-4-6-8-18)19-9-11-20(12-10-19)26-17(2)25-16-15-24-14-13-22/h1,4-12,17,22-23H,13-16H2,2H3
InChIKeyWANSIQJSGFBMOD-UHFFFAOYSA-N
XLogP2.31
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 21477653
2-[2-[2-[2-[4-[2-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10819033
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
CID 21477666
4-[2-[4-[1-[9-[1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]ethoxy]nonoxy]ethoxy]phenyl]propan-2-yl]phenol
CID 59701640
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 67586644
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol?
The IUPAC name of 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol (CID 23298971) is 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc(OC(C)OCCOCCO)cc1.
What is the InChIKey of 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol?
The InChIKey is WANSIQJSGFBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-3-21(23,18-7-5-4-6-8-18)19-9-11-20(12-10-19)26-17(2)25-16-15-24-14-13-22/h1,4-12,17,22-23H,13-16H2,2H3.
What are the key properties of 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol?
1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol has a molecular weight of 356.42 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 23298971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).