2-chloro-1-(3-chloropropyl)-4-methylbenzene

C10H12Cl2 — CID 106869679

IUPAC2-chloro-1-(3-chloropropyl)-4-methylbenzene
SMILESCc1ccc(CCCCl)c(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyGEYDHHMZXRYQNP-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-1-(3-chloropropyl)-4-methylbenzene

2-chloro-1-(3-chloropropyl)-4-methylbenzene (PubChem CID 106869679) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 2-chloro-1-(3-chloropropyl)-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-(3-chloropropyl)-4-methylbenzene
PubChem CID106869679
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name2-chloro-1-(3-chloropropyl)-4-methylbenzene
SMILESCc1ccc(CCCCl)c(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyGEYDHHMZXRYQNP-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.82
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-(2-chloro-4-methylphenyl)heptan-4-one
CID 106870128
1-[(2-chloro-4-methylphenyl)methyl]-4-(3-chloropropyl)triazole
CID 106869397
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-(3-chloropropyl)-5-methylbenzenesulfonate
CID 42609040
4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol
CID 70259668
1-(2-chloro-4-methylphenyl)-4-methylpentan-3-amine
CID 106864879
ethyl 2-[2-(3-chloropropyl)-5-methylphenyl]acetate
CID 134631766
2-[2-(3-chloropropyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 118814212
2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
CID 106870839
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine
CID 106864909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloropropyl)-4-methylbenzene?
The IUPAC name of 2-chloro-1-(3-chloropropyl)-4-methylbenzene (CID 106869679) is 2-chloro-1-(3-chloropropyl)-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-(3-chloropropyl)-4-methylbenzene?
The canonical SMILES for 2-chloro-1-(3-chloropropyl)-4-methylbenzene is Cc1ccc(CCCCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(3-chloropropyl)-4-methylbenzene?
The InChIKey is GEYDHHMZXRYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-8-4-5-9(3-2-6-11)10(12)7-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-chloro-1-(3-chloropropyl)-4-methylbenzene?
2-chloro-1-(3-chloropropyl)-4-methylbenzene has a molecular weight of 203.11 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloropropyl)-4-methylbenzene is sourced from PubChem (CID 106869679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).