2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene

C12H17ClO2 — CID 82081447

IUPAC2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(C)(C)CCl)c1
InChIInChI=1S/C12H17ClO2/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-7H,8H2,1-4H3
InChIKeyZCGSRBUFDBTSKK-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.22
Rot. Bonds4

About 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene

2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene (PubChem CID 82081447) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
PubChem CID82081447
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(C)(C)CCl)c1
InChIInChI=1S/C12H17ClO2/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-7H,8H2,1-4H3
InChIKeyZCGSRBUFDBTSKK-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
3-chloro-1-(2,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
CID 146006279
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene (CID 82081447) is 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C(C)(C)CCl)c1.
What is the InChIKey of 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene?
The InChIKey is ZCGSRBUFDBTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-7H,8H2,1-4H3.
What are the key properties of 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene?
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene has a molecular weight of 228.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene is sourced from PubChem (CID 82081447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).