3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one

C24H26O7 — CID 2308333

IUPAC3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
SMILESO=C1C2(CCCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2
InChIInChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2
InChIKeyNLGLVEBOSFSJHD-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.61
Rot. Bonds2

About 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one

3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one (PubChem CID 2308333) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one.

Molecular Properties

Compound Name3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
PubChem CID2308333
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
SMILESO=C1C2(CCCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2
InChIInChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2
InChIKeyNLGLVEBOSFSJHD-UHFFFAOYSA-N
XLogP3.61
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The IUPAC name of 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one (CID 2308333) is 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one.
What is the SMILES notation for 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The canonical SMILES for 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one is O=C1C2(CCCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2.
What is the InChIKey of 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The InChIKey is NLGLVEBOSFSJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O7/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21,25-26H,1,10-15H2.
What are the key properties of 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one has a molecular weight of 426.47 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one is sourced from PubChem (CID 2308333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).