1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol

C20H28O6 — CID 18793721

IUPAC1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol
SMILESCC(O)OCCOC1(OCCOC(C)O)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C20H28O6/c1-16(21)23-12-14-25-20(26-15-13-24-17(2)22)10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17,19,21-22H,12-15H2,1-2H3
InChIKeyCAEUEGKFECKCAS-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.34
Rot. Bonds11

About 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol

1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol (PubChem CID 18793721) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol
PubChem CID18793721
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol
SMILESCC(O)OCCOC1(OCCOC(C)O)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C20H28O6/c1-16(21)23-12-14-25-20(26-15-13-24-17(2)22)10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17,19,21-22H,12-15H2,1-2H3
InChIKeyCAEUEGKFECKCAS-UHFFFAOYSA-N
XLogP2.34
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol?
The IUPAC name of 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol (CID 18793721) is 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol.
What is the SMILES notation for 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol?
The canonical SMILES for 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol is CC(O)OCCOC1(OCCOC(C)O)C=CC(c2ccccc2)C=C1.
What is the InChIKey of 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol?
The InChIKey is CAEUEGKFECKCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-16(21)23-12-14-25-20(26-15-13-24-17(2)22)10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17,19,21-22H,12-15H2,1-2H3.
What are the key properties of 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol?
1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol has a molecular weight of 364.44 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(1-hydroxyethoxy)ethoxy]-4-phenylcyclohexa-2,5-dien-1-yl]oxyethoxy]ethanol is sourced from PubChem (CID 18793721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).