(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol

C30H30O4 — CID 11048714

IUPAC(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol
SMILESCOC(c1ccccc1)(c1ccccc1)[C@H](O)[C@@H](O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O4/c1-33-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(31)28(32)30(34-2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,31-32H,1-2H3/t27-,28-/m1/s1
InChIKeyAXJXOZFACYIMBU-VSGBNLITSA-N
MW454.57 g/mol
LogP4.89
Rot. Bonds9

About (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol

(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol (PubChem CID 11048714) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol
PubChem CID11048714
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol
SMILESCOC(c1ccccc1)(c1ccccc1)[C@H](O)[C@@H](O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O4/c1-33-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(31)28(32)30(34-2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,31-32H,1-2H3/t27-,28-/m1/s1
InChIKeyAXJXOZFACYIMBU-VSGBNLITSA-N
XLogP4.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol (CID 11048714) is (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol is COC(c1ccccc1)(c1ccccc1)[C@H](O)[C@@H](O)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol?
The InChIKey is AXJXOZFACYIMBU-VSGBNLITSA-N. The full InChI is InChI=1S/C30H30O4/c1-33-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(31)28(32)30(34-2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,31-32H,1-2H3/t27-,28-/m1/s1.
What are the key properties of (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol?
(2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol has a molecular weight of 454.57 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-dimethoxy-1,1,4,4-tetraphenylbutane-2,3-diol is sourced from PubChem (CID 11048714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).