1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene

C10H11Br3 — CID 87780827

IUPAC1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
SMILESCCc1c(C)c(Br)c(Br)c(Br)c1C
InChIInChI=1S/C10H11Br3/c1-4-7-5(2)8(11)10(13)9(12)6(7)3/h4H2,1-3H3
InChIKeySQMHBLIJPOZMML-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.15
Rot. Bonds1

About 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene

1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene (PubChem CID 87780827) has the molecular formula C10H11Br3 and a molecular weight of 370.91 g/mol. Its IUPAC name is 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
PubChem CID87780827
Molecular FormulaC10H11Br3
Molecular Weight370.91 g/mol
Exact Mass367.84
IUPAC Name1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
SMILESCCc1c(C)c(Br)c(Br)c(Br)c1C
InChIInChI=1S/C10H11Br3/c1-4-7-5(2)8(11)10(13)9(12)6(7)3/h4H2,1-3H3
InChIKeySQMHBLIJPOZMML-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.15
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 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene?
The IUPAC name of 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene (CID 87780827) is 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene.
What is the SMILES notation for 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene?
The canonical SMILES for 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene is CCc1c(C)c(Br)c(Br)c(Br)c1C.
What is the InChIKey of 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene?
The InChIKey is SQMHBLIJPOZMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3/c1-4-7-5(2)8(11)10(13)9(12)6(7)3/h4H2,1-3H3.
What are the key properties of 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene?
1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene has a molecular weight of 370.91 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene is sourced from PubChem (CID 87780827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).