1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene

C13H7Cl5 — CID 63444209

IUPAC1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
SMILESClc1cc(Cl)cc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl5/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H
InChIKeyHNRQKKHJCVGZTN-UHFFFAOYSA-N
MW340.46 g/mol
LogP6.63
Rot. Bonds2

About 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene

1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene (PubChem CID 63444209) has the molecular formula C13H7Cl5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
PubChem CID63444209
Molecular FormulaC13H7Cl5
Molecular Weight340.46 g/mol
Exact Mass337.90
IUPAC Name1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
SMILESClc1cc(Cl)cc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl5/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H
InChIKeyHNRQKKHJCVGZTN-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 56.63
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-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
CID 63443935
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
CID 55199949
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene (CID 63444209) is 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene is Clc1cc(Cl)cc(C(Cl)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene?
The InChIKey is HNRQKKHJCVGZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H.
What are the key properties of 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene?
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene has a molecular weight of 340.46 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene is sourced from PubChem (CID 63444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).