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

C19H20O6 — CID 752691

IUPAC2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
SMILESOc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2
InChIInChI=1S/C19H20O6/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18,20-21H,9-12H2
InChIKeyQLEMXKCIAQLFMM-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.88
Rot. Bonds2

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

2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol (PubChem CID 752691) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
PubChem CID752691
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
SMILESOc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2
InChIInChI=1S/C19H20O6/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18,20-21H,9-12H2
InChIKeyQLEMXKCIAQLFMM-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 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The IUPAC name of 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol (CID 752691) is 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol is Oc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
The InChIKey is QLEMXKCIAQLFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c20-15-7-3-1-5-13(15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-6-2-4-8-16(14)21/h1-8,17-18,20-21H,9-12H2.
What are the key properties of 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol?
2-[3-(2-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 2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol is sourced from PubChem (CID 752691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).