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

C30H30O4 — CID 10072679

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

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

(2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol (PubChem CID 10072679) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol
PubChem CID10072679
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name(2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol
SMILESCO[C@H]([C@@H](OC)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O4/c1-33-27(29(31,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(34-2)30(32,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,31-32H,1-2H3/t27-,28-/m1/s1
InChIKeyULYQVBYJYNETNI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol?
The IUPAC name of (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol (CID 10072679) is (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol.
What is the SMILES notation for (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol?
The canonical SMILES for (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol is CO[C@H]([C@@H](OC)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol?
The InChIKey is ULYQVBYJYNETNI-VSGBNLITSA-N. The full InChI is InChI=1S/C30H30O4/c1-33-27(29(31,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(34-2)30(32,25-19-11-5-12-20-25)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)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol?
(2R,3R)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-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)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol is sourced from PubChem (CID 10072679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).