[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol

C18H22O6Se — CID 132556150

IUPAC[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)c([Se]c2cc(OC)c(OC)cc2CO)cc1OC
InChIInChI=1S/C18H22O6Se/c1-21-13-5-11(9-19)17(7-15(13)23-3)25-18-8-16(24-4)14(22-2)6-12(18)10-20/h5-8,19-20H,9-10H2,1-4H3
InChIKeyWVNMWFWSHIXNOX-UHFFFAOYSA-N
MW413.33 g/mol
LogP0.36
Rot. Bonds8

About [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol

[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol (PubChem CID 132556150) has the molecular formula C18H22O6Se and a molecular weight of 413.33 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol
PubChem CID132556150
Molecular FormulaC18H22O6Se
Molecular Weight413.33 g/mol
Exact Mass414.06
IUPAC Name[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)c([Se]c2cc(OC)c(OC)cc2CO)cc1OC
InChIInChI=1S/C18H22O6Se/c1-21-13-5-11(9-19)17(7-15(13)23-3)25-18-8-16(24-4)14(22-2)6-12(18)10-20/h5-8,19-20H,9-10H2,1-4H3
InChIKeyWVNMWFWSHIXNOX-UHFFFAOYSA-N
XLogP0.36
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
[2-(hydroxymethyl)-4,5-dimethoxyphenyl] hydrogen carbonate
CID 122655177
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
[4-[2-[2-ethyl-4,5-bis(hydroxymethyl)phenoxy]ethoxy]-2-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 134578778
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
CID 908982
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol (CID 132556150) is [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol is COc1cc(CO)c([Se]c2cc(OC)c(OC)cc2CO)cc1OC.
What is the InChIKey of [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol?
The InChIKey is WVNMWFWSHIXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6Se/c1-21-13-5-11(9-19)17(7-15(13)23-3)25-18-8-16(24-4)14(22-2)6-12(18)10-20/h5-8,19-20H,9-10H2,1-4H3.
What are the key properties of [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol?
[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol has a molecular weight of 413.33 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]selanyl-4,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 132556150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).