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

C16H16O8 — CID 20730795

IUPAC2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(C2C(O)C(c3c(O)cc(O)cc3O)C2O)c(O)c1
InChIInChI=1S/C16H16O8/c17-5-1-7(19)11(8(20)2-5)13-15(23)14(16(13)24)12-9(21)3-6(18)4-10(12)22/h1-4,13-24H
InChIKeyJELWQPACYMGLSW-UHFFFAOYSA-N
MW336.30 g/mol
LogP0.52
Rot. Bonds2

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

2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol (PubChem CID 20730795) has the molecular formula C16H16O8 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol
PubChem CID20730795
Molecular FormulaC16H16O8
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(C2C(O)C(c3c(O)cc(O)cc3O)C2O)c(O)c1
InChIInChI=1S/C16H16O8/c17-5-1-7(19)11(8(20)2-5)13-15(23)14(16(13)24)12-9(21)3-6(18)4-10(12)22/h1-4,13-24H
InChIKeyJELWQPACYMGLSW-UHFFFAOYSA-N
XLogP0.52
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 50.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol?
The IUPAC name of 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol (CID 20730795) is 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol is Oc1cc(O)c(C2C(O)C(c3c(O)cc(O)cc3O)C2O)c(O)c1.
What is the InChIKey of 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol?
The InChIKey is JELWQPACYMGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O8/c17-5-1-7(19)11(8(20)2-5)13-15(23)14(16(13)24)12-9(21)3-6(18)4-10(12)22/h1-4,13-24H.
What are the key properties of 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol?
2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol has a molecular weight of 336.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dihydroxy-3-(2,4,6-trihydroxyphenyl)cyclobutyl]benzene-1,3,5-triol is sourced from PubChem (CID 20730795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).