1-(1,2-dichloroethyl)-4-methylbenzene

C9H10Cl2 — CID 587413

IUPAC1-(1,2-dichloroethyl)-4-methylbenzene
SMILESCc1ccc(C(Cl)CCl)cc1
InChIInChI=1S/C9H10Cl2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9H,6H2,1H3
InChIKeyWAUMFTWHNXCPNG-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.51
Rot. Bonds2

About 1-(1,2-dichloroethyl)-4-methylbenzene

1-(1,2-dichloroethyl)-4-methylbenzene (PubChem CID 587413) has the molecular formula C9H10Cl2 and a molecular weight of 189.08 g/mol. Its IUPAC name is 1-(1,2-dichloroethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1,2-dichloroethyl)-4-methylbenzene
PubChem CID587413
Molecular FormulaC9H10Cl2
Molecular Weight189.08 g/mol
Exact Mass188.02
IUPAC Name1-(1,2-dichloroethyl)-4-methylbenzene
SMILESCc1ccc(C(Cl)CCl)cc1
InChIInChI=1S/C9H10Cl2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9H,6H2,1H3
InChIKeyWAUMFTWHNXCPNG-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.51
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

1-(1,5-dichloropentyl)-4-methylbenzene
CID 54532884
1-(1-chloro-4-methylpentyl)-4-methylbenzene
CID 63428910
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
4-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
CID 143322905
CID 143322905
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
1-chloro-N-methyl-1-(4-methylphenyl)methanamine
CID 116962024
1,1-dichloroethane;1,4-xylene
CID 70558607
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
1-(1-chloro-5,5-dimethylhexan-2-yl)-4-methylbenzene
CID 79435760

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloroethyl)-4-methylbenzene?
The IUPAC name of 1-(1,2-dichloroethyl)-4-methylbenzene (CID 587413) is 1-(1,2-dichloroethyl)-4-methylbenzene.
What is the SMILES notation for 1-(1,2-dichloroethyl)-4-methylbenzene?
The canonical SMILES for 1-(1,2-dichloroethyl)-4-methylbenzene is Cc1ccc(C(Cl)CCl)cc1.
What is the InChIKey of 1-(1,2-dichloroethyl)-4-methylbenzene?
The InChIKey is WAUMFTWHNXCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9H,6H2,1H3.
What are the key properties of 1-(1,2-dichloroethyl)-4-methylbenzene?
1-(1,2-dichloroethyl)-4-methylbenzene has a molecular weight of 189.08 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloroethyl)-4-methylbenzene is sourced from PubChem (CID 587413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).