[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol

C36H32O4 — CID 10580038

IUPAC[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(c2ccccc2)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C36H32O4/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31/h2-26,32-33,37-38H,1H3/t32-,33-/m1/s1
InChIKeyQVQMFUMIQACODH-CZNDPXEESA-N
MW528.65 g/mol
LogP6.52
Rot. Bonds7

About [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 10580038) has the molecular formula C36H32O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID10580038
Molecular FormulaC36H32O4
Molecular Weight528.65 g/mol
Exact Mass528.23
IUPAC Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(c2ccccc2)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C36H32O4/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31/h2-26,32-33,37-38H,1H3/t32-,33-/m1/s1
InChIKeyQVQMFUMIQACODH-CZNDPXEESA-N
XLogP6.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol (CID 10580038) is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol is CC1(c2ccccc2)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is QVQMFUMIQACODH-CZNDPXEESA-N. The full InChI is InChI=1S/C36H32O4/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31/h2-26,32-33,37-38H,1H3/t32-,33-/m1/s1.
What are the key properties of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 528.65 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 10580038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).