1,4-dichloro-2-(2,2-dimethylpropoxy)benzene

C11H14Cl2O — CID 66988103

IUPAC1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
SMILESCC(C)(C)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6H,7H2,1-3H3
InChIKeyKLLPKCWNQJQJCT-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.42
Rot. Bonds2

About 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene

1,4-dichloro-2-(2,2-dimethylpropoxy)benzene (PubChem CID 66988103) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
PubChem CID66988103
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
SMILESCC(C)(C)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6H,7H2,1-3H3
InChIKeyKLLPKCWNQJQJCT-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
2-[(2,5-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 64998973
1-chloro-4-(2,2-dimethylpropoxy)-2-methoxybenzene
CID 59636989
5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255805
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
methyl 2-(2,5-dichlorophenoxy)ethanimidate
CID 82290476
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene (CID 66988103) is 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene is CC(C)(C)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene?
The InChIKey is KLLPKCWNQJQJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6H,7H2,1-3H3.
What are the key properties of 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene?
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene has a molecular weight of 233.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2,2-dimethylpropoxy)benzene is sourced from PubChem (CID 66988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).