2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol

C14H14O6 — CID 90416964

IUPAC2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(CCc2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C14H14O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h3-6,15-20H,1-2H2
InChIKeyWDMKDLXXAZKZTF-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.71
Rot. Bonds3

About 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol

2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol (PubChem CID 90416964) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
PubChem CID90416964
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(CCc2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C14H14O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h3-6,15-20H,1-2H2
InChIKeyWDMKDLXXAZKZTF-UHFFFAOYSA-N
XLogP1.71
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 51.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol?
The IUPAC name of 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol (CID 90416964) is 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol is Oc1cc(O)c(CCc2c(O)cc(O)cc2O)c(O)c1.
What is the InChIKey of 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol?
The InChIKey is WDMKDLXXAZKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c15-7-3-11(17)9(12(18)4-7)1-2-10-13(19)5-8(16)6-14(10)20/h3-6,15-20H,1-2H2.
What are the key properties of 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol?
2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol has a molecular weight of 278.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol is sourced from PubChem (CID 90416964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).