2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol

C26H26Cl4O10 — CID 10651728

IUPAC2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol
SMILESCOCCOCOc1cc(Cl)c(Oc2cc(O)cc(Oc3c(Cl)cc(OCOCCOC)cc3Cl)c2O)c(Cl)c1
InChIInChI=1S/C26H26Cl4O10/c1-33-3-5-35-13-37-16-9-18(27)25(19(28)10-16)39-22-7-15(31)8-23(24(22)32)40-26-20(29)11-17(12-21(26)30)38-14-36-6-4-34-2/h7-12,31-32H,3-6,13-14H2,1-2H3
InChIKeyXRLFBWKQSYQYOH-UHFFFAOYSA-N
MW640.30 g/mol
LogP7.29
Rot. Bonds16

About 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol

2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol (PubChem CID 10651728) has the molecular formula C26H26Cl4O10 and a molecular weight of 640.30 g/mol. Its IUPAC name is 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol.

Molecular Properties

Compound Name2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol
PubChem CID10651728
Molecular FormulaC26H26Cl4O10
Molecular Weight640.30 g/mol
Exact Mass638.03
IUPAC Name2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol
SMILESCOCCOCOc1cc(Cl)c(Oc2cc(O)cc(Oc3c(Cl)cc(OCOCCOC)cc3Cl)c2O)c(Cl)c1
InChIInChI=1S/C26H26Cl4O10/c1-33-3-5-35-13-37-16-9-18(27)25(19(28)10-16)39-22-7-15(31)8-23(24(22)32)40-26-20(29)11-17(12-21(26)30)38-14-36-6-4-34-2/h7-12,31-32H,3-6,13-14H2,1-2H3
InChIKeyXRLFBWKQSYQYOH-UHFFFAOYSA-N
XLogP7.29
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.30
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Analyze 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol 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-(2-methoxyethoxymethoxy)phenol
CID 21223145
2,3-dichloro-5-(2-methoxyethoxymethoxy)benzaldehyde
CID 19833378
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
CID 10796614
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
[3,5-dichloro-4-(4-hydroxy-2-propan-2-ylphenoxy)phenoxy]methylphosphonic acid
CID 141114258
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
6-bromo-1-[6-bromo-2-(2-methoxyethoxymethoxy)naphthalen-1-yl]-2-(2-methoxyethoxymethoxy)naphthalene
CID 139199177
3,5-dichloro-4-(2-methoxyethoxy)benzonitrile
CID 164888287
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
4-butoxy-3,5-dichlorophenol
CID 91234331
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol?
The IUPAC name of 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol (CID 10651728) is 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol.
What is the SMILES notation for 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol?
The canonical SMILES for 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol is COCCOCOc1cc(Cl)c(Oc2cc(O)cc(Oc3c(Cl)cc(OCOCCOC)cc3Cl)c2O)c(Cl)c1.
What is the InChIKey of 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol?
The InChIKey is XRLFBWKQSYQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl4O10/c1-33-3-5-35-13-37-16-9-18(27)25(19(28)10-16)39-22-7-15(31)8-23(24(22)32)40-26-20(29)11-17(12-21(26)30)38-14-36-6-4-34-2/h7-12,31-32H,3-6,13-14H2,1-2H3.
What are the key properties of 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol?
2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol has a molecular weight of 640.30 g/mol, XLogP of 7.29, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,6-dichloro-4-(2-methoxyethoxymethoxy)phenoxy]benzene-1,4-diol is sourced from PubChem (CID 10651728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).