1-chloro-4-ethyl-2-methylbenzene;ethane

C11H17Cl — CID 142121320

IUPAC1-chloro-4-ethyl-2-methylbenzene;ethane
SMILESCC.CCc1ccc(Cl)c(C)c1
InChIInChI=1S/C9H11Cl.C2H6/c1-3-8-4-5-9(10)7(2)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyLWQIGORCZKKBLO-UHFFFAOYSA-N
MW184.71 g/mol
LogP4.24
Rot. Bonds1

About 1-chloro-4-ethyl-2-methylbenzene;ethane

1-chloro-4-ethyl-2-methylbenzene;ethane (PubChem CID 142121320) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-chloro-4-ethyl-2-methylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-4-ethyl-2-methylbenzene;ethane
PubChem CID142121320
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name1-chloro-4-ethyl-2-methylbenzene;ethane
SMILESCC.CCc1ccc(Cl)c(C)c1
InChIInChI=1S/C9H11Cl.C2H6/c1-3-8-4-5-9(10)7(2)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyLWQIGORCZKKBLO-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
CID 167518054
4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
CID 165483203
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
CID 165483204

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethyl-2-methylbenzene;ethane?
The IUPAC name of 1-chloro-4-ethyl-2-methylbenzene;ethane (CID 142121320) is 1-chloro-4-ethyl-2-methylbenzene;ethane.
What is the SMILES notation for 1-chloro-4-ethyl-2-methylbenzene;ethane?
The canonical SMILES for 1-chloro-4-ethyl-2-methylbenzene;ethane is CC.CCc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-ethyl-2-methylbenzene;ethane?
The InChIKey is LWQIGORCZKKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.C2H6/c1-3-8-4-5-9(10)7(2)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of 1-chloro-4-ethyl-2-methylbenzene;ethane?
1-chloro-4-ethyl-2-methylbenzene;ethane has a molecular weight of 184.71 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethyl-2-methylbenzene;ethane is sourced from PubChem (CID 142121320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).