1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol

C14H16O6 — CID 70371735

IUPAC1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol
SMILESOCc1cc2c(CO)c(O)c(CO)cc2c(CO)c1O
InChIInChI=1S/C14H16O6/c15-3-7-1-9-10(12(6-18)13(7)19)2-8(4-16)14(20)11(9)5-17/h1-2,15-20H,3-6H2
InChIKeyKCGMLGWMJRJNFK-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.22
Rot. Bonds4

About 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol

1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol (PubChem CID 70371735) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol.

Molecular Properties

Compound Name1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol
PubChem CID70371735
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol
SMILESOCc1cc2c(CO)c(O)c(CO)cc2c(CO)c1O
InChIInChI=1S/C14H16O6/c15-3-7-1-9-10(12(6-18)13(7)19)2-8(4-16)14(20)11(9)5-17/h1-2,15-20H,3-6H2
InChIKeyKCGMLGWMJRJNFK-UHFFFAOYSA-N
XLogP0.22
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.28
LogP ≤ 50.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol?
The IUPAC name of 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol (CID 70371735) is 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol.
What is the SMILES notation for 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol?
The canonical SMILES for 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol is OCc1cc2c(CO)c(O)c(CO)cc2c(CO)c1O.
What is the InChIKey of 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol?
The InChIKey is KCGMLGWMJRJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c15-3-7-1-9-10(12(6-18)13(7)19)2-8(4-16)14(20)11(9)5-17/h1-2,15-20H,3-6H2.
What are the key properties of 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol?
1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol has a molecular weight of 280.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol is sourced from PubChem (CID 70371735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).