1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene

C12H15Cl3 — CID 66034318

IUPAC1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
SMILESCCCC(CCl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyMGCQQFGSYFZPAB-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.19
Rot. Bonds5

About 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene

1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene (PubChem CID 66034318) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
PubChem CID66034318
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Name1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
SMILESCCCC(CCl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyMGCQQFGSYFZPAB-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.61
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939
1-tert-butyl-4-[2-(chloromethyl)pentyl]benzene
CID 66034313
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
3-[2-(chloromethyl)pentyl]thiophene
CID 66036116

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene (CID 66034318) is 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene is CCCC(CCl)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene?
The InChIKey is MGCQQFGSYFZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene?
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene has a molecular weight of 265.61 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene is sourced from PubChem (CID 66034318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).