6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol

C18H21NO7 — CID 142438961

IUPAC6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol
SMILESCC1(C)ON(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)OC1(C)C
InChIInChI=1S/C18H21NO7/c1-17(2)18(3,4)26-19(25-17)10-7-5-9(6-8-10)11-12(20)14(22)16(24)15(23)13(11)21/h5-8,20-24H,1-4H3
InChIKeyKFPRTHLRKYNSOI-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.12
Rot. Bonds2

About 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol

6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 142438961) has the molecular formula C18H21NO7 and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol
PubChem CID142438961
Molecular FormulaC18H21NO7
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC Name6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol
SMILESCC1(C)ON(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)OC1(C)C
InChIInChI=1S/C18H21NO7/c1-17(2)18(3,4)26-19(25-17)10-7-5-9(6-8-10)11-12(20)14(22)16(24)15(23)13(11)21/h5-8,20-24H,1-4H3
InChIKeyKFPRTHLRKYNSOI-UHFFFAOYSA-N
XLogP3.12
TPSA122.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol (CID 142438961) is 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol is CC1(C)ON(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)OC1(C)C.
What is the InChIKey of 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol?
The InChIKey is KFPRTHLRKYNSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7/c1-17(2)18(3,4)26-19(25-17)10-7-5-9(6-8-10)11-12(20)14(22)16(24)15(23)13(11)21/h5-8,20-24H,1-4H3.
What are the key properties of 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol?
6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 363.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 142438961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).