1,2-dichloro-4-(3-chlorobutyl)benzene

C10H11Cl3 — CID 63461279

IUPAC1,2-dichloro-4-(3-chlorobutyl)benzene
SMILESCC(Cl)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h4-7H,2-3H2,1H3
InChIKeyIIDBAZXKJPWDJM-UHFFFAOYSA-N
MW237.56 g/mol
LogP4.55
Rot. Bonds3

About 1,2-dichloro-4-(3-chlorobutyl)benzene

1,2-dichloro-4-(3-chlorobutyl)benzene (PubChem CID 63461279) has the molecular formula C10H11Cl3 and a molecular weight of 237.56 g/mol. Its IUPAC name is 1,2-dichloro-4-(3-chlorobutyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3-chlorobutyl)benzene
PubChem CID63461279
Molecular FormulaC10H11Cl3
Molecular Weight237.56 g/mol
Exact Mass235.99
IUPAC Name1,2-dichloro-4-(3-chlorobutyl)benzene
SMILESCC(Cl)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h4-7H,2-3H2,1H3
InChIKeyIIDBAZXKJPWDJM-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.56
LogP ≤ 54.55
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-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882
4-(3,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64665023
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3-chlorobutyl)benzene?
The IUPAC name of 1,2-dichloro-4-(3-chlorobutyl)benzene (CID 63461279) is 1,2-dichloro-4-(3-chlorobutyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3-chlorobutyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3-chlorobutyl)benzene is CC(Cl)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(3-chlorobutyl)benzene?
The InChIKey is IIDBAZXKJPWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h4-7H,2-3H2,1H3.
What are the key properties of 1,2-dichloro-4-(3-chlorobutyl)benzene?
1,2-dichloro-4-(3-chlorobutyl)benzene has a molecular weight of 237.56 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3-chlorobutyl)benzene is sourced from PubChem (CID 63461279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).