CID 131971247

C32H24O6 — CID 131971247

IUPAC—
SMILESOC1[C@H]2OC3(O[C@H]2C(O)[C@@H]2OC4(O[C@@H]12)c1ccccc1-c1ccccc14)c1ccccc1-c1ccccc13
InChIInChI=1S/C32H24O6/c33-25-27-28(36-31(35-27)21-13-5-1-9-17(21)18-10-2-6-14-22(18)31)26(34)30-29(25)37-32(38-30)23-15-7-3-11-19(23)20-12-4-8-16-24(20)32/h1-16,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1
InChIKeyAFGWYPBHENITFO-CSXACLAXSA-N
MW504.54 g/mol
LogP4.05
Rot. Bonds

About CID 131971247

CID 131971247 (PubChem CID 131971247) has the molecular formula C32H24O6 and a molecular weight of 504.54 g/mol.

Molecular Properties

Compound NameCID 131971247
PubChem CID131971247
Molecular FormulaC32H24O6
Molecular Weight504.54 g/mol
Exact Mass504.16
IUPAC Name—
SMILESOC1[C@H]2OC3(O[C@H]2C(O)[C@@H]2OC4(O[C@@H]12)c1ccccc1-c1ccccc14)c1ccccc1-c1ccccc13
InChIInChI=1S/C32H24O6/c33-25-27-28(36-31(35-27)21-13-5-1-9-17(21)18-10-2-6-14-22(18)31)26(34)30-29(25)37-32(38-30)23-15-7-3-11-19(23)20-12-4-8-16-24(20)32/h1-16,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1
InChIKeyAFGWYPBHENITFO-CSXACLAXSA-N
XLogP4.05
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2S,3S,4S,5R)-3-(9H-fluoren-9-yloxy)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 398030
(3aR,4S,5S,6R,7S,7aS)-4,6,7-tris(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 13844395
(1S,2S)-1,2-bis[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 46871974
[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol
CID 12064797
5,6,7-Tris(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-ol
CID 14885464
CID 18659548
CID 18659548
(3aR,4S,7R)-1',7,7',7'-tetramethyl-4,6-bis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]-5-ol
CID 59521525
(1'S,3aR,4S,7R)-1',7,7',7'-tetramethyl-4,6-bis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]-5-ol
CID 59521887
(3aS,4R,5S,6S,7R,7aR)-4,6,7-tris(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 69223612
(3aR,4R,5S,6S,7R,7aS)-4,6,7-tris(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 69224621
CID 131971253
CID 131971253
(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 131971259

Frequently Asked Questions

What is the IUPAC name of CID 131971247?
The IUPAC name of CID 131971247 (CID 131971247) is not available.
What is the SMILES notation for CID 131971247?
The canonical SMILES for CID 131971247 is OC1[C@H]2OC3(O[C@H]2C(O)[C@@H]2OC4(O[C@@H]12)c1ccccc1-c1ccccc14)c1ccccc1-c1ccccc13.
What is the InChIKey of CID 131971247?
The InChIKey is AFGWYPBHENITFO-CSXACLAXSA-N. The full InChI is InChI=1S/C32H24O6/c33-25-27-28(36-31(35-27)21-13-5-1-9-17(21)18-10-2-6-14-22(18)31)26(34)30-29(25)37-32(38-30)23-15-7-3-11-19(23)20-12-4-8-16-24(20)32/h1-16,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1.
What are the key properties of CID 131971247?
CID 131971247 has a molecular weight of 504.54 g/mol, XLogP of 4.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131971247 is sourced from PubChem (CID 131971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).