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

C33H34O4 — CID 2728617

IUPAC[2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC(C)(C)C1OC(C(O)(c2ccccc2)c2ccccc2)C(C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H34O4/c1-31(2,3)30-36-28(32(34,24-16-8-4-9-17-24)25-18-10-5-11-19-25)29(37-30)33(35,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28-30,34-35H,1-3H3
InChIKeyRUSSXYMAIZSPJO-UHFFFAOYSA-N
MW494.63 g/mol
LogP6.01
Rot. Bonds6

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

[2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 2728617) has the molecular formula C33H34O4 and a molecular weight of 494.63 g/mol. Its IUPAC name is [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID2728617
Molecular FormulaC33H34O4
Molecular Weight494.63 g/mol
Exact Mass494.25
IUPAC Name[2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC(C)(C)C1OC(C(O)(c2ccccc2)c2ccccc2)C(C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H34O4/c1-31(2,3)30-36-28(32(34,24-16-8-4-9-17-24)25-18-10-5-11-19-25)29(37-30)33(35,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28-30,34-35H,1-3H3
InChIKeyRUSSXYMAIZSPJO-UHFFFAOYSA-N
XLogP6.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol (CID 2728617) is [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol is CC(C)(C)C1OC(C(O)(c2ccccc2)c2ccccc2)C(C(O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is RUSSXYMAIZSPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O4/c1-31(2,3)30-36-28(32(34,24-16-8-4-9-17-24)25-18-10-5-11-19-25)29(37-30)33(35,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23,28-30,34-35H,1-3H3.
What are the key properties of [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol?
[2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 494.63 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 2728617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).