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

C35H30O4 — CID 9497741

IUPAC[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1OC(c2ccccc2)O[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H30O4/c36-34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-32(39-33(38-31)26-16-6-1-7-17-26)35(37,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-33,36-37H/t31-,32-/m1/s1
InChIKeyKKPXYBKSVNSAGH-ROJLCIKYSA-N
MW514.62 g/mol
LogP6.34
Rot. Bonds7

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

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 9497741) has the molecular formula C35H30O4 and a molecular weight of 514.62 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID9497741
Molecular FormulaC35H30O4
Molecular Weight514.62 g/mol
Exact Mass514.21
IUPAC Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1OC(c2ccccc2)O[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H30O4/c36-34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-32(39-33(38-31)26-16-6-1-7-17-26)35(37,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-33,36-37H/t31-,32-/m1/s1
InChIKeyKKPXYBKSVNSAGH-ROJLCIKYSA-N
XLogP6.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.34
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-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol (CID 9497741) is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1OC(c2ccccc2)O[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is KKPXYBKSVNSAGH-ROJLCIKYSA-N. The full InChI is InChI=1S/C35H30O4/c36-34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)31-32(39-33(38-31)26-16-6-1-7-17-26)35(37,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31-33,36-37H/t31-,32-/m1/s1.
What are the key properties of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol?
[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 514.62 g/mol, XLogP of 6.34, 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-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 9497741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).