1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene

C22H20Cl2O — CID 173271826

IUPAC1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c1-22(2,3)25-20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3
InChIKeyWYENDEPHPOUWMR-UHFFFAOYSA-N
MW371.31 g/mol
LogP7.50
Rot. Bonds3

About 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene

1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 173271826) has the molecular formula C22H20Cl2O and a molecular weight of 371.31 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID173271826
Molecular FormulaC22H20Cl2O
Molecular Weight371.31 g/mol
Exact Mass370.09
IUPAC Name1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c1-22(2,3)25-20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3
InChIKeyWYENDEPHPOUWMR-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene (CID 173271826) is 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is WYENDEPHPOUWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2O/c1-22(2,3)25-20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3.
What are the key properties of 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene?
1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 371.31 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 173271826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).