3-methyl-1,1-diphenylbutane-1,2-diol

C17H20O2 — CID 14023613

IUPAC3-methyl-1,1-diphenylbutane-1,2-diol
SMILESCC(C)C(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,18-19H,1-2H3
InChIKeyHOOKSPOPHALQSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.94
Rot. Bonds4

About 3-methyl-1,1-diphenylbutane-1,2-diol

3-methyl-1,1-diphenylbutane-1,2-diol (PubChem CID 14023613) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1,1-diphenylbutane-1,2-diol.

Molecular Properties

Compound Name3-methyl-1,1-diphenylbutane-1,2-diol
PubChem CID14023613
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-methyl-1,1-diphenylbutane-1,2-diol
SMILESCC(C)C(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,18-19H,1-2H3
InChIKeyHOOKSPOPHALQSK-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,1-diphenylbutane-1,2-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 3-methyl-1,1-diphenylbutane-1,2-diol?
The IUPAC name of 3-methyl-1,1-diphenylbutane-1,2-diol (CID 14023613) is 3-methyl-1,1-diphenylbutane-1,2-diol.
What is the SMILES notation for 3-methyl-1,1-diphenylbutane-1,2-diol?
The canonical SMILES for 3-methyl-1,1-diphenylbutane-1,2-diol is CC(C)C(O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1,1-diphenylbutane-1,2-diol?
The InChIKey is HOOKSPOPHALQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,18-19H,1-2H3.
What are the key properties of 3-methyl-1,1-diphenylbutane-1,2-diol?
3-methyl-1,1-diphenylbutane-1,2-diol has a molecular weight of 256.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-diphenylbutane-1,2-diol is sourced from PubChem (CID 14023613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).