2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene

C17H17Cl3 — CID 63430749

IUPAC2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
SMILESCC(C)Cc1ccc(C(Cl)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl3/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9H2,1-2H3
InChIKeyKOWLHPYPTMAFFI-UHFFFAOYSA-N
MW327.68 g/mol
LogP6.52
Rot. Bonds4

About 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene

2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene (PubChem CID 63430749) has the molecular formula C17H17Cl3 and a molecular weight of 327.68 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
PubChem CID63430749
Molecular FormulaC17H17Cl3
Molecular Weight327.68 g/mol
Exact Mass326.04
IUPAC Name2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
SMILESCC(C)Cc1ccc(C(Cl)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl3/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9H2,1-2H3
InChIKeyKOWLHPYPTMAFFI-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.68
LogP ≤ 56.52
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

4-chloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2-methoxybenzene
CID 63430663
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
CID 63430619
1-[chloro-(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzene
CID 63430622
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
1-chloro-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-3-fluorobenzene
CID 63431072
1-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430575
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
CID 82890709
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene (CID 63430749) is 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene is CC(C)Cc1ccc(C(Cl)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene?
The InChIKey is KOWLHPYPTMAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene?
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene has a molecular weight of 327.68 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene is sourced from PubChem (CID 63430749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).