2-(2-chloroethyl)-1,4-dimethylbenzene

C10H13Cl — CID 53403519

IUPAC2-(2-chloroethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CCCl)c1
InChIInChI=1S/C10H13Cl/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyVYHMCETVHBOXNR-UHFFFAOYSA-N
MW168.67 g/mol
LogP3.08
Rot. Bonds2

About 2-(2-chloroethyl)-1,4-dimethylbenzene

2-(2-chloroethyl)-1,4-dimethylbenzene (PubChem CID 53403519) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2-chloroethyl)-1,4-dimethylbenzene
PubChem CID53403519
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name2-(2-chloroethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CCCl)c1
InChIInChI=1S/C10H13Cl/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyVYHMCETVHBOXNR-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
4-chloro-N-[(2,5-dimethylphenyl)methyl]butan-1-amine
CID 106844225
CID 68591460
CID 68591460
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
2-(3-chloro-4,4-dimethylpentyl)-1,4-dimethylbenzene
CID 63460011
4-(2,5-dimethylphenyl)butane-1-sulfonyl chloride
CID 98702218
CID 68534782
CID 68534782
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2-chloroethyl)-1,4-dimethylbenzene (CID 53403519) is 2-(2-chloroethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2-chloroethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2-chloroethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(CCCl)c1.
What is the InChIKey of 2-(2-chloroethyl)-1,4-dimethylbenzene?
The InChIKey is VYHMCETVHBOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1,4-dimethylbenzene?
2-(2-chloroethyl)-1,4-dimethylbenzene has a molecular weight of 168.67 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 53403519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).