1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene

C20H26O3 — CID 141096945

IUPAC1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
SMILESCCOc1ccccc1CCOCCc1ccccc1OCC
InChIInChI=1S/C20H26O3/c1-3-22-19-11-7-5-9-17(19)13-15-21-16-14-18-10-6-8-12-20(18)23-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyVVUBHJHQVKFELG-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.29
Rot. Bonds10

About 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene

1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene (PubChem CID 141096945) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
PubChem CID141096945
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
SMILESCCOc1ccccc1CCOCCc1ccccc1OCC
InChIInChI=1S/C20H26O3/c1-3-22-19-11-7-5-9-17(19)13-15-21-16-14-18-10-6-8-12-20(18)23-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyVVUBHJHQVKFELG-UHFFFAOYSA-N
XLogP4.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene 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-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
1-decyl-2-ethoxybenzene
CID 175243335
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
CID 64508912
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
3-(2-ethoxyphenyl)propyl methanesulfonate
CID 19688465

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene?
The IUPAC name of 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene (CID 141096945) is 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene.
What is the SMILES notation for 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene?
The canonical SMILES for 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene is CCOc1ccccc1CCOCCc1ccccc1OCC.
What is the InChIKey of 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene?
The InChIKey is VVUBHJHQVKFELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-22-19-11-7-5-9-17(19)13-15-21-16-14-18-10-6-8-12-20(18)23-4-2/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene?
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene has a molecular weight of 314.43 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene is sourced from PubChem (CID 141096945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).