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

C12H16Cl2O — CID 21060134

IUPAC1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
SMILESCC(C)(C)COCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-4-5-10(13)11(14)6-9/h4-6H,7-8H2,1-3H3
InChIKeyAMDKJRULZOYWHP-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.56
Rot. Bonds3

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

1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene (PubChem CID 21060134) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
PubChem CID21060134
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
SMILESCC(C)(C)COCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-4-5-10(13)11(14)6-9/h4-6H,7-8H2,1-3H3
InChIKeyAMDKJRULZOYWHP-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
1,2-dichloro-4-(ethoxymethyl)benzene;N-ethylethanamine
CID 19018464
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866
2-(2,2-dimethylpropoxymethyl)-5-(2,2-dimethylpropyl)pyridine
CID 153306917
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene (CID 21060134) is 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene is CC(C)(C)COCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene?
The InChIKey is AMDKJRULZOYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-4-5-10(13)11(14)6-9/h4-6H,7-8H2,1-3H3.
What are the key properties of 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene?
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene has a molecular weight of 247.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene is sourced from PubChem (CID 21060134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).