1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene

C16H14Cl4 — CID 66049437

IUPAC1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
SMILESClCC(Cc1cccc(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl4/c17-10-12(7-11-3-1-4-13(18)8-11)9-14-15(19)5-2-6-16(14)20/h1-6,8,12H,7,9-10H2
InChIKeyONHSMNOYHFDKSN-UHFFFAOYSA-N
MW348.10 g/mol
LogP6.29
Rot. Bonds5

About 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene

1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene (PubChem CID 66049437) has the molecular formula C16H14Cl4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
PubChem CID66049437
Molecular FormulaC16H14Cl4
Molecular Weight348.10 g/mol
Exact Mass345.98
IUPAC Name1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
SMILESClCC(Cc1cccc(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl4/c17-10-12(7-11-3-1-4-13(18)8-11)9-14-15(19)5-2-6-16(14)20/h1-6,8,12H,7,9-10H2
InChIKeyONHSMNOYHFDKSN-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.10
LogP ≤ 56.29
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-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
CID 66048354
4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 66048357
4-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 66050323
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
4-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66047702

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene?
The IUPAC name of 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene (CID 66049437) is 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene is ClCC(Cc1cccc(Cl)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene?
The InChIKey is ONHSMNOYHFDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4/c17-10-12(7-11-3-1-4-13(18)8-11)9-14-15(19)5-2-6-16(14)20/h1-6,8,12H,7,9-10H2.
What are the key properties of 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene?
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene has a molecular weight of 348.10 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene is sourced from PubChem (CID 66049437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).