1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol

C23H19Cl2NO2 — CID 102266914

IUPAC1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol
SMILESCn1cc(C(O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H19Cl2NO2/c1-26-14-20(19-4-2-3-5-21(19)26)22(27)23(28,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h2-14,22,27-28H,1H3
InChIKeyYXBQDJQGDUMCKE-UHFFFAOYSA-N
MW412.32 g/mol
LogP5.45
Rot. Bonds4

About 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol

1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol (PubChem CID 102266914) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol
PubChem CID102266914
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol
SMILESCn1cc(C(O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C23H19Cl2NO2/c1-26-14-20(19-4-2-3-5-21(19)26)22(27)23(28,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h2-14,22,27-28H,1H3
InChIKeyYXBQDJQGDUMCKE-UHFFFAOYSA-N
XLogP5.45
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol (CID 102266914) is 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol is Cn1cc(C(O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol?
The InChIKey is YXBQDJQGDUMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c1-26-14-20(19-4-2-3-5-21(19)26)22(27)23(28,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h2-14,22,27-28H,1H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol?
1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol has a molecular weight of 412.32 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 102266914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).