[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol

C18H24O4 — CID 170553121

IUPAC[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol
SMILESCc1c(CO)c(CO)c(C)c2c(C)c(CO)c(CO)c(C)c12
InChIInChI=1S/C18H24O4/c1-9-13(5-19)14(6-20)11(3)18-12(4)16(8-22)15(7-21)10(2)17(9)18/h19-22H,5-8H2,1-4H3
InChIKeyJBSOXUDGYGDCKK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.04
Rot. Bonds4

About [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol

[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol (PubChem CID 170553121) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol
PubChem CID170553121
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol
SMILESCc1c(CO)c(CO)c(C)c2c(C)c(CO)c(CO)c(C)c12
InChIInChI=1S/C18H24O4/c1-9-13(5-19)14(6-20)11(3)18-12(4)16(8-22)15(7-21)10(2)17(9)18/h19-22H,5-8H2,1-4H3
InChIKeyJBSOXUDGYGDCKK-UHFFFAOYSA-N
XLogP2.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol?
The IUPAC name of [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol (CID 170553121) is [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol.
What is the SMILES notation for [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol?
The canonical SMILES for [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol is Cc1c(CO)c(CO)c(C)c2c(C)c(CO)c(CO)c(C)c12.
What is the InChIKey of [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol?
The InChIKey is JBSOXUDGYGDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-9-13(5-19)14(6-20)11(3)18-12(4)16(8-22)15(7-21)10(2)17(9)18/h19-22H,5-8H2,1-4H3.
What are the key properties of [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol?
[3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol has a molecular weight of 304.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6,7-tris(hydroxymethyl)-1,4,5,8-tetramethylnaphthalen-2-yl]methanol is sourced from PubChem (CID 170553121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).