1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene

C11H12Cl2O — CID 79173704

IUPAC1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCC(Cl)=CCl)c(C)c1
InChIInChI=1S/C11H12Cl2O/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-6H,7H2,1-2H3
InChIKeyAJBJOVZMXIVQEK-UHFFFAOYSA-N
MW231.12 g/mol
LogP4.00
Rot. Bonds3

About 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene

1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene (PubChem CID 79173704) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
PubChem CID79173704
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCC(Cl)=CCl)c(C)c1
InChIInChI=1S/C11H12Cl2O/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-6H,7H2,1-2H3
InChIKeyAJBJOVZMXIVQEK-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene (CID 79173704) is 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene is Cc1ccc(OCC(Cl)=CCl)c(C)c1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene?
The InChIKey is AJBJOVZMXIVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene?
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene has a molecular weight of 231.12 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 79173704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).