2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane

C12H18Cl2 — CID 155706977

IUPAC2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
SMILESCC.Cc1cc(Cl)cc(C(C)C)c1Cl
InChIInChI=1S/C10H12Cl2.C2H6/c1-6(2)9-5-8(11)4-7(3)10(9)12;1-2/h4-6H,1-3H3;1-2H3
InChIKeyAQWAQVWGNORXAJ-UHFFFAOYSA-N
MW233.18 g/mol
LogP5.45
Rot. Bonds1

About 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane

2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane (PubChem CID 155706977) has the molecular formula C12H18Cl2 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
PubChem CID155706977
Molecular FormulaC12H18Cl2
Molecular Weight233.18 g/mol
Exact Mass232.08
IUPAC Name2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
SMILESCC.Cc1cc(Cl)cc(C(C)C)c1Cl
InChIInChI=1S/C10H12Cl2.C2H6/c1-6(2)9-5-8(11)4-7(3)10(9)12;1-2/h4-6H,1-3H3;1-2H3
InChIKeyAQWAQVWGNORXAJ-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.18
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
2,5-dichloro-3-methylaniline;ethane
CID 155747818
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
5-chloro-1-(difluoromethyl)-2-iodo-3-methylbenzene
CID 171003499
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
3-chloro-2,6-dimethyl-4-propan-2-ylpyridine
CID 161364296
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
2-[4-chloro-2,6-di(propan-2-yl)phenyl]ethanethiol
CID 155577838
2-N,3-N-bis[4-chloro-2,6-di(propan-2-yl)phenyl]butane-2,3-diimine
CID 102208627

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane?
The IUPAC name of 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane (CID 155706977) is 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane.
What is the SMILES notation for 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane?
The canonical SMILES for 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane is CC.Cc1cc(Cl)cc(C(C)C)c1Cl.
What is the InChIKey of 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane?
The InChIKey is AQWAQVWGNORXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2.C2H6/c1-6(2)9-5-8(11)4-7(3)10(9)12;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane?
2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane has a molecular weight of 233.18 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane is sourced from PubChem (CID 155706977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).