4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol

C34H54O10 — CID 176631810

IUPAC4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
SMILESCCOCCOCc1cc(C(C)(C)c2cc(COCCOCC)c(O)c(COCCOCC)c2)cc(COCCOC)c1O
InChIInChI=1S/C34H54O10/c1-7-38-12-15-42-23-27-19-30(18-26(32(27)35)22-41-11-10-37-6)34(4,5)31-20-28(24-43-16-13-39-8-2)33(36)29(21-31)25-44-17-14-40-9-3/h18-21,35-36H,7-17,22-25H2,1-6H3
InChIKeyXHFDIRUECVFACU-UHFFFAOYSA-N
MW622.80 g/mol
LogP5.25
Rot. Bonds25

About 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol

4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol (PubChem CID 176631810) has the molecular formula C34H54O10 and a molecular weight of 622.80 g/mol. Its IUPAC name is 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
PubChem CID176631810
Molecular FormulaC34H54O10
Molecular Weight622.80 g/mol
Exact Mass622.37
IUPAC Name4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
SMILESCCOCCOCc1cc(C(C)(C)c2cc(COCCOCC)c(O)c(COCCOCC)c2)cc(COCCOC)c1O
InChIInChI=1S/C34H54O10/c1-7-38-12-15-42-23-27-19-30(18-26(32(27)35)22-41-11-10-37-6)34(4,5)31-20-28(24-43-16-13-39-8-2)33(36)29(21-31)25-44-17-14-40-9-3/h18-21,35-36H,7-17,22-25H2,1-6H3
InChIKeyXHFDIRUECVFACU-UHFFFAOYSA-N
XLogP5.25
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.80
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol 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-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
CID 59541081
2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
CID 19825439
4-[2-[4-hydroxy-3,5-bis(1-methoxypropan-2-yloxymethyl)phenyl]propan-2-yl]-2-(methoxymethyl)-6-(1-methoxypropan-2-yloxymethyl)phenol
CID 121336558
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
4-[2-[4-[1-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-1-[4-hydroxy-3-(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol
CID 157433719
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)phenyl]ethanone
CID 171074474
2-(2-methoxyethoxymethyl)phenol
CID 21397612
1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol
CID 15214364
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol?
The IUPAC name of 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol (CID 176631810) is 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol.
What is the SMILES notation for 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol?
The canonical SMILES for 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol is CCOCCOCc1cc(C(C)(C)c2cc(COCCOCC)c(O)c(COCCOCC)c2)cc(COCCOC)c1O.
What is the InChIKey of 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol?
The InChIKey is XHFDIRUECVFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O10/c1-7-38-12-15-42-23-27-19-30(18-26(32(27)35)22-41-11-10-37-6)34(4,5)31-20-28(24-43-16-13-39-8-2)33(36)29(21-31)25-44-17-14-40-9-3/h18-21,35-36H,7-17,22-25H2,1-6H3.
What are the key properties of 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol?
4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol has a molecular weight of 622.80 g/mol, XLogP of 5.25, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol is sourced from PubChem (CID 176631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).