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

C13H23Cl — CID 143541856

IUPAC2-chloro-1-ethyl-4-methylbenzene;ethane
SMILESCC.CC.CCc1ccc(C)cc1Cl
InChIInChI=1S/C9H11Cl.2C2H6/c1-3-8-5-4-7(2)6-9(8)10;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyHRMVUJKSHRQSCG-UHFFFAOYSA-N
MW214.78 g/mol
LogP5.26
Rot. Bonds1

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

2-chloro-1-ethyl-4-methylbenzene;ethane (PubChem CID 143541856) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-methylbenzene;ethane.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-methylbenzene;ethane
PubChem CID143541856
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name2-chloro-1-ethyl-4-methylbenzene;ethane
SMILESCC.CC.CCc1ccc(C)cc1Cl
InChIInChI=1S/C9H11Cl.2C2H6/c1-3-8-5-4-7(2)6-9(8)10;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyHRMVUJKSHRQSCG-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.78
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
1,2-diethyl-4-methylbenzene;methane
CID 174446118
(2-chloro-4-methylphenyl)methanesulfinic acid
CID 174497661
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
ethane;2-ethyl-5-methylphenol
CID 142001660
2-chloro-1-ethyl-4-iodobenzene
CID 71044998
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
2-chloro-1-(3-chloropropyl)-4-methylbenzene
CID 106869679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-methylbenzene;ethane?
The IUPAC name of 2-chloro-1-ethyl-4-methylbenzene;ethane (CID 143541856) is 2-chloro-1-ethyl-4-methylbenzene;ethane.
What is the SMILES notation for 2-chloro-1-ethyl-4-methylbenzene;ethane?
The canonical SMILES for 2-chloro-1-ethyl-4-methylbenzene;ethane is CC.CC.CCc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-1-ethyl-4-methylbenzene;ethane?
The InChIKey is HRMVUJKSHRQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.2C2H6/c1-3-8-5-4-7(2)6-9(8)10;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3.
What are the key properties of 2-chloro-1-ethyl-4-methylbenzene;ethane?
2-chloro-1-ethyl-4-methylbenzene;ethane has a molecular weight of 214.78 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-4-methylbenzene;ethane is sourced from PubChem (CID 143541856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).