1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene

C17H18Cl2 — CID 66048137

IUPAC1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
SMILESCc1ccccc1CC(CCl)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18Cl2/c1-13-5-2-3-7-16(13)10-15(12-18)9-14-6-4-8-17(19)11-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyQSNVQANIRUJRAR-UHFFFAOYSA-N
MW293.24 g/mol
LogP5.29
Rot. Bonds5

About 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene

1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene (PubChem CID 66048137) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
PubChem CID66048137
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
SMILESCc1ccccc1CC(CCl)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18Cl2/c1-13-5-2-3-7-16(13)10-15(12-18)9-14-6-4-8-17(19)11-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyQSNVQANIRUJRAR-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 55.29
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-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 66048357
2-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376010
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437
1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 63016247
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
CID 66049250
1-bromo-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049032
N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57156795
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene?
The IUPAC name of 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene (CID 66048137) is 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene?
The canonical SMILES for 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene is Cc1ccccc1CC(CCl)Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene?
The InChIKey is QSNVQANIRUJRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c1-13-5-2-3-7-16(13)10-15(12-18)9-14-6-4-8-17(19)11-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene?
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene has a molecular weight of 293.24 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene is sourced from PubChem (CID 66048137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).