1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol

C20H26O6 — CID 134831013

IUPAC1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
SMILESCCOc1ccc(C(O)C(O)c2cc(OC)c(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H26O6/c1-5-25-15-9-7-13(8-10-15)18(21)19(22)14-11-16(23-3)20(26-6-2)17(12-14)24-4/h7-12,18-19,21-22H,5-6H2,1-4H3
InChIKeyUIMFQZUIXMSGSM-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.27
Rot. Bonds9

About 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol

1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol (PubChem CID 134831013) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
PubChem CID134831013
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
SMILESCCOc1ccc(C(O)C(O)c2cc(OC)c(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H26O6/c1-5-25-15-9-7-13(8-10-15)18(21)19(22)14-11-16(23-3)20(26-6-2)17(12-14)24-4/h7-12,18-19,21-22H,5-6H2,1-4H3
InChIKeyUIMFQZUIXMSGSM-UHFFFAOYSA-N
XLogP3.27
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
4-[bromo-(4-ethoxyphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63437396
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
CID 61099537
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
amino-(4-ethoxyphenyl)methanol
CID 116939610
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol (CID 134831013) is 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol is CCOc1ccc(C(O)C(O)c2cc(OC)c(OCC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol?
The InChIKey is UIMFQZUIXMSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-5-25-15-9-7-13(8-10-15)18(21)19(22)14-11-16(23-3)20(26-6-2)17(12-14)24-4/h7-12,18-19,21-22H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol?
1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol has a molecular weight of 362.42 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 134831013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).