2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene

C18H20Cl2 — CID 79432496

IUPAC2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CC(CCl)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H20Cl2/c1-12-7-13(2)18(14(3)8-12)10-16(11-19)15-5-4-6-17(20)9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyMNPMQKFSOKUBSQ-UHFFFAOYSA-N
MW307.26 g/mol
LogP5.83
Rot. Bonds4

About 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene

2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene (PubChem CID 79432496) has the molecular formula C18H20Cl2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
PubChem CID79432496
Molecular FormulaC18H20Cl2
Molecular Weight307.26 g/mol
Exact Mass306.09
IUPAC Name2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CC(CCl)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H20Cl2/c1-12-7-13(2)18(14(3)8-12)10-16(11-19)15-5-4-6-17(20)9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyMNPMQKFSOKUBSQ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 55.83
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

2-[3-chloro-2-(4-fluorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79437417
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
1-[1-chloro-3-(2-methylphenyl)propan-2-yl]-3-methylbenzene
CID 79416670
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
CID 79431985
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
CID 79433711
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene (CID 79432496) is 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(CC(CCl)c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene?
The InChIKey is MNPMQKFSOKUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2/c1-12-7-13(2)18(14(3)8-12)10-16(11-19)15-5-4-6-17(20)9-15/h4-9,16H,10-11H2,1-3H3.
What are the key properties of 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene?
2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene has a molecular weight of 307.26 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 79432496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).