1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol

C28H26O2 — CID 18615291

IUPAC1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
SMILESCc1cccc(C(O)(c2cccc(C)c2)C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H26O2/c1-21-11-9-17-25(19-21)28(30,26-18-10-12-22(2)20-26)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,29-30H,1-2H3
InChIKeyJORQGTJZHBZEHD-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.48
Rot. Bonds5

About 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol

1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol (PubChem CID 18615291) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol.

Molecular Properties

Compound Name1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
PubChem CID18615291
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
SMILESCc1cccc(C(O)(c2cccc(C)c2)C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H26O2/c1-21-11-9-17-25(19-21)28(30,26-18-10-12-22(2)20-26)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,29-30H,1-2H3
InChIKeyJORQGTJZHBZEHD-UHFFFAOYSA-N
XLogP5.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol?
The IUPAC name of 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol (CID 18615291) is 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol.
What is the SMILES notation for 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol?
The canonical SMILES for 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol is Cc1cccc(C(O)(c2cccc(C)c2)C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol?
The InChIKey is JORQGTJZHBZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-21-11-9-17-25(19-21)28(30,26-18-10-12-22(2)20-26)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-20,29-30H,1-2H3.
What are the key properties of 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol?
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol has a molecular weight of 394.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol is sourced from PubChem (CID 18615291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).