1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene

C21H30Cl2 — CID 167518054

IUPAC1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
SMILESCC.CC(C)c1ccc(Cl)c(Cl)c1.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H10Cl2.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-2/h5-7H,4H2,1-3H3;3-6H,1-2H3;1-2H3
InChIKeyFVYZEQGUNSOEGN-UHFFFAOYSA-N
MW353.38 g/mol
LogP8.01
Rot. Bonds2

About 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene

1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene (PubChem CID 167518054) has the molecular formula C21H30Cl2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
PubChem CID167518054
Molecular FormulaC21H30Cl2
Molecular Weight353.38 g/mol
Exact Mass352.17
IUPAC Name1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
SMILESCC.CC(C)c1ccc(Cl)c(Cl)c1.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C9H10Cl2.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-2/h5-7H,4H2,1-3H3;3-6H,1-2H3;1-2H3
InChIKeyFVYZEQGUNSOEGN-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 167517965
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
CID 67682143
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene?
The IUPAC name of 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene (CID 167518054) is 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene.
What is the SMILES notation for 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene?
The canonical SMILES for 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene is CC.CC(C)c1ccc(Cl)c(Cl)c1.CCc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene?
The InChIKey is FVYZEQGUNSOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H10Cl2.C2H6/c1-4-10-6-5-8(2)9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-2/h5-7H,4H2,1-3H3;3-6H,1-2H3;1-2H3.
What are the key properties of 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene?
1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene has a molecular weight of 353.38 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene is sourced from PubChem (CID 167518054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).