1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane

C22H32Cl2 — CID 167517965

IUPAC1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
SMILESCC.CCCc1ccc(Cl)c(Cl)c1.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C11H16.C9H10Cl2.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2-3-7-4-5-8(10)9(11)6-7;1-2/h5-8H,1-4H3;4-6H,2-3H2,1H3;1-2H3
InChIKeyILWVVNLNEWJXNS-UHFFFAOYSA-N
MW367.40 g/mol
LogP8.40
Rot. Bonds3

About 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane

1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane (PubChem CID 167517965) has the molecular formula C22H32Cl2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
PubChem CID167517965
Molecular FormulaC22H32Cl2
Molecular Weight367.40 g/mol
Exact Mass366.19
IUPAC Name1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane
SMILESCC.CCCc1ccc(Cl)c(Cl)c1.Cc1ccc(C(C)C)cc1C
InChIInChI=1S/C11H16.C9H10Cl2.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2-3-7-4-5-8(10)9(11)6-7;1-2/h5-8H,1-4H3;4-6H,2-3H2,1H3;1-2H3
InChIKeyILWVVNLNEWJXNS-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
CID 167518054
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The IUPAC name of 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane (CID 167517965) is 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The canonical SMILES for 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane is CC.CCCc1ccc(Cl)c(Cl)c1.Cc1ccc(C(C)C)cc1C.
What is the InChIKey of 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane?
The InChIKey is ILWVVNLNEWJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C9H10Cl2.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2-3-7-4-5-8(10)9(11)6-7;1-2/h5-8H,1-4H3;4-6H,2-3H2,1H3;1-2H3.
What are the key properties of 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane?
1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane has a molecular weight of 367.40 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-propylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane is sourced from PubChem (CID 167517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).