4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol

C19H20O6 — CID 10688797

IUPAC4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
SMILESOc1ccc(C2OCC3(CO2)COC(c2ccc(O)cc2)OC3)cc1
InChIInChI=1S/C19H20O6/c20-15-5-1-13(2-6-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-3-7-16(21)8-4-14/h1-8,17-18,20-21H,9-12H2
InChIKeyYAKHVJDQSISJOS-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.88
Rot. Bonds2

About 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol

4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol (PubChem CID 10688797) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
PubChem CID10688797
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
SMILESOc1ccc(C2OCC3(CO2)COC(c2ccc(O)cc2)OC3)cc1
InChIInChI=1S/C19H20O6/c20-15-5-1-13(2-6-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-3-7-16(21)8-4-14/h1-8,17-18,20-21H,9-12H2
InChIKeyYAKHVJDQSISJOS-UHFFFAOYSA-N
XLogP2.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol (CID 10688797) is 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol is Oc1ccc(C2OCC3(CO2)COC(c2ccc(O)cc2)OC3)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The InChIKey is YAKHVJDQSISJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c20-15-5-1-13(2-6-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-3-7-16(21)8-4-14/h1-8,17-18,20-21H,9-12H2.
What are the key properties of 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol has a molecular weight of 344.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol is sourced from PubChem (CID 10688797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).