3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol

C20H26O8 — CID 15711923

IUPAC3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol
SMILESOc1cccc(COCCOCCOCCOCc2cccc(O)c2O)c1O
InChIInChI=1S/C20H26O8/c21-17-5-1-3-15(19(17)23)13-27-11-9-25-7-8-26-10-12-28-14-16-4-2-6-18(22)20(16)24/h1-6,21-24H,7-14H2
InChIKeySDAPVVQPPHPZJN-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.28
Rot. Bonds13

About 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol

3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol (PubChem CID 15711923) has the molecular formula C20H26O8 and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol
PubChem CID15711923
Molecular FormulaC20H26O8
Molecular Weight394.42 g/mol
Exact Mass394.16
IUPAC Name3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol
SMILESOc1cccc(COCCOCCOCCOCc2cccc(O)c2O)c1O
InChIInChI=1S/C20H26O8/c21-17-5-1-3-15(19(17)23)13-27-11-9-25-7-8-26-10-12-28-14-16-4-2-6-18(22)20(16)24/h1-6,21-24H,7-14H2
InChIKeySDAPVVQPPHPZJN-UHFFFAOYSA-N
XLogP2.28
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxymethyl)phenol
CID 21397612
3-(6-butoxyhexyl)benzene-1,2-diol
CID 154435441
3-(13-butoxytridecyl)benzene-1,2-diol
CID 154435829
3-(2-decoxyethyl)benzene-1,2-diol
CID 154435142
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375
3-(13-heptoxytridecyl)benzene-1,2-diol
CID 154435835
CID 140892716
CID 140892716
2-(2-ethylsilyloxyethoxymethyl)phenol
CID 154022719
3-(2,2-dihydroxyethyl)benzene-1,2-diol
CID 70364634
bis[2-(2,3-dihydroxyphenyl)ethyl] butanedioate
CID 174992498
2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
benzene-1,2,3-triol
CID 87074018

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol?
The IUPAC name of 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol (CID 15711923) is 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol?
The canonical SMILES for 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol is Oc1cccc(COCCOCCOCCOCc2cccc(O)c2O)c1O.
What is the InChIKey of 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol?
The InChIKey is SDAPVVQPPHPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8/c21-17-5-1-3-15(19(17)23)13-27-11-9-25-7-8-26-10-12-28-14-16-4-2-6-18(22)20(16)24/h1-6,21-24H,7-14H2.
What are the key properties of 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol?
3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol has a molecular weight of 394.42 g/mol, XLogP of 2.28, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[(2,3-dihydroxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]benzene-1,2-diol is sourced from PubChem (CID 15711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).