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

C12H17ClO2 — CID 82081448

IUPAC1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(C)(C)CCl)c(OC)c1
InChIInChI=1S/C12H17ClO2/c1-12(2,8-13)10-6-5-9(14-3)7-11(10)15-4/h5-7H,8H2,1-4H3
InChIKeyOQGFENYUMDFJGL-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.22
Rot. Bonds4

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

1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene (PubChem CID 82081448) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
PubChem CID82081448
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(C)(C)CCl)c(OC)c1
InChIInChI=1S/C12H17ClO2/c1-12(2,8-13)10-6-5-9(14-3)7-11(10)15-4/h5-7H,8H2,1-4H3
InChIKeyOQGFENYUMDFJGL-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

2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
3-chloro-1-(2,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
CID 146006279
2-chloro-1-(4-chloro-2-methylbutan-2-yl)-4-methoxybenzene
CID 79837354
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene (CID 82081448) is 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene is COc1ccc(C(C)(C)CCl)c(OC)c1.
What is the InChIKey of 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene?
The InChIKey is OQGFENYUMDFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-12(2,8-13)10-6-5-9(14-3)7-11(10)15-4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene?
1-(1-chloro-2-methylpropan-2-yl)-2,4-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 1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene is sourced from PubChem (CID 82081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).