1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene

C14H11BrCl2 — CID 171448664

IUPAC1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene
SMILESCc1cc(C)cc(-c2cc(Cl)c(Cl)c(Br)c2)c1
InChIInChI=1S/C14H11BrCl2/c1-8-3-9(2)5-10(4-8)11-6-12(15)14(17)13(16)7-11/h3-7H,1-2H3
InChIKeyRJBCLWDUKJFWQV-UHFFFAOYSA-N
MW330.05 g/mol
LogP6.04
Rot. Bonds1

About 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene

1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene (PubChem CID 171448664) has the molecular formula C14H11BrCl2 and a molecular weight of 330.05 g/mol. Its IUPAC name is 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene
PubChem CID171448664
Molecular FormulaC14H11BrCl2
Molecular Weight330.05 g/mol
Exact Mass327.94
IUPAC Name1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene
SMILESCc1cc(C)cc(-c2cc(Cl)c(Cl)c(Br)c2)c1
InChIInChI=1S/C14H11BrCl2/c1-8-3-9(2)5-10(4-8)11-6-12(15)14(17)13(16)7-11/h3-7H,1-2H3
InChIKeyRJBCLWDUKJFWQV-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.05
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene?
The IUPAC name of 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene (CID 171448664) is 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene.
What is the SMILES notation for 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene?
The canonical SMILES for 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene is Cc1cc(C)cc(-c2cc(Cl)c(Cl)c(Br)c2)c1.
What is the InChIKey of 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene?
The InChIKey is RJBCLWDUKJFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2/c1-8-3-9(2)5-10(4-8)11-6-12(15)14(17)13(16)7-11/h3-7H,1-2H3.
What are the key properties of 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene?
1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene has a molecular weight of 330.05 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene is sourced from PubChem (CID 171448664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).