4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol

C37H52O8 — CID 59541081

IUPAC4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
SMILESCCOCc1cc(C(C)(c2cc(COCC)c(O)c(COCC)c2)c2cc(COCC)c(O)c(COCC)c2)cc(CC)c1O
InChIInChI=1S/C37H52O8/c1-8-25-14-31(15-26(34(25)38)20-41-9-2)37(7,32-16-27(21-42-10-3)35(39)28(17-32)22-43-11-4)33-18-29(23-44-12-5)36(40)30(19-33)24-45-13-6/h14-19,38-40H,8-13,20-24H2,1-7H3
InChIKeyWWZNZGITNCRNAG-UHFFFAOYSA-N
MW624.82 g/mol
LogP7.40
Rot. Bonds19

About 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol

4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol (PubChem CID 59541081) has the molecular formula C37H52O8 and a molecular weight of 624.82 g/mol. Its IUPAC name is 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol.

Molecular Properties

Compound Name4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
PubChem CID59541081
Molecular FormulaC37H52O8
Molecular Weight624.82 g/mol
Exact Mass624.37
IUPAC Name4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
SMILESCCOCc1cc(C(C)(c2cc(COCC)c(O)c(COCC)c2)c2cc(COCC)c(O)c(COCC)c2)cc(CC)c1O
InChIInChI=1S/C37H52O8/c1-8-25-14-31(15-26(34(25)38)20-41-9-2)37(7,32-16-27(21-42-10-3)35(39)28(17-32)22-43-11-4)33-18-29(23-44-12-5)36(40)30(19-33)24-45-13-6/h14-19,38-40H,8-13,20-24H2,1-7H3
InChIKeyWWZNZGITNCRNAG-UHFFFAOYSA-N
XLogP7.40
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.82
LogP ≤ 57.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol 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 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol?
The IUPAC name of 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol (CID 59541081) is 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol.
What is the SMILES notation for 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol?
The canonical SMILES for 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol is CCOCc1cc(C(C)(c2cc(COCC)c(O)c(COCC)c2)c2cc(COCC)c(O)c(COCC)c2)cc(CC)c1O.
What is the InChIKey of 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol?
The InChIKey is WWZNZGITNCRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52O8/c1-8-25-14-31(15-26(34(25)38)20-41-9-2)37(7,32-16-27(21-42-10-3)35(39)28(17-32)22-43-11-4)33-18-29(23-44-12-5)36(40)30(19-33)24-45-13-6/h14-19,38-40H,8-13,20-24H2,1-7H3.
What are the key properties of 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol?
4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol has a molecular weight of 624.82 g/mol, XLogP of 7.40, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol is sourced from PubChem (CID 59541081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).