1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene

C22H28Cl2O2 — CID 21028359

IUPAC1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
SMILESCc1ccc(Cl)c(OCC(C)C)c1-c1c(C)ccc(Cl)c1OCC(C)C
InChIInChI=1S/C22H28Cl2O2/c1-13(2)11-25-21-17(23)9-7-15(5)19(21)20-16(6)8-10-18(24)22(20)26-12-14(3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyJRIAHWBWPJSPAW-UHFFFAOYSA-N
MW395.37 g/mol
LogP7.35
Rot. Bonds7

About 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene

1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene (PubChem CID 21028359) has the molecular formula C22H28Cl2O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
PubChem CID21028359
Molecular FormulaC22H28Cl2O2
Molecular Weight395.37 g/mol
Exact Mass394.15
IUPAC Name1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
SMILESCc1ccc(Cl)c(OCC(C)C)c1-c1c(C)ccc(Cl)c1OCC(C)C
InChIInChI=1S/C22H28Cl2O2/c1-13(2)11-25-21-17(23)9-7-15(5)19(21)20-16(6)8-10-18(24)22(20)26-12-14(3)4/h7-10,13-14H,11-12H2,1-6H3
InChIKeyJRIAHWBWPJSPAW-UHFFFAOYSA-N
XLogP7.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.37
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trichloro-3-(2-methylpropoxy)benzene
CID 91732249
1-chloro-3-[3-chloro-2-(2-ethylhexoxy)-6-methylphenyl]-2-(2-ethylhexoxy)-4-methylbenzene
CID 21028376
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene
CID 10332995
5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
5-chloro-2-(2-methylpropoxy)-3-propan-2-ylaniline
CID 82552857
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
(5E)-1-(3-chloro-4-methylphenyl)-5-[[3,5-dichloro-4-(2-methylpropoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126050546
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene?
The IUPAC name of 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene (CID 21028359) is 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene?
The canonical SMILES for 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene is Cc1ccc(Cl)c(OCC(C)C)c1-c1c(C)ccc(Cl)c1OCC(C)C.
What is the InChIKey of 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene?
The InChIKey is JRIAHWBWPJSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2O2/c1-13(2)11-25-21-17(23)9-7-15(5)19(21)20-16(6)8-10-18(24)22(20)26-12-14(3)4/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene?
1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene has a molecular weight of 395.37 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 21028359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).