1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene

C20H22Cl4O — CID 57017797

IUPAC1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCC(C)(C)c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl4O/c1-19(2,13-5-15(21)9-16(22)6-13)11-25-12-20(3,4)14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3
InChIKeyPWIQRVKCSCKAQO-UHFFFAOYSA-N
MW420.21 g/mol
LogP7.57
Rot. Bonds6

About 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene

1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene (PubChem CID 57017797) has the molecular formula C20H22Cl4O and a molecular weight of 420.21 g/mol. Its IUPAC name is 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
PubChem CID57017797
Molecular FormulaC20H22Cl4O
Molecular Weight420.21 g/mol
Exact Mass418.04
IUPAC Name1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCC(C)(COCC(C)(C)c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl4O/c1-19(2,13-5-15(21)9-16(22)6-13)11-25-12-20(3,4)14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3
InChIKeyPWIQRVKCSCKAQO-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.21
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene 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 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene (CID 57017797) is 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene is CC(C)(COCC(C)(C)c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is PWIQRVKCSCKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl4O/c1-19(2,13-5-15(21)9-16(22)6-13)11-25-12-20(3,4)14-7-17(23)10-18(24)8-14/h5-10H,11-12H2,1-4H3.
What are the key properties of 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 420.21 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 57017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).