1-(4-bromophenyl)-2,3,4-trimethylbenzene

C15H15Br — CID 174839809

IUPAC1-(4-bromophenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(C)c1C
InChIInChI=1S/C15H15Br/c1-10-4-9-15(12(3)11(10)2)13-5-7-14(16)8-6-13/h4-9H,1-3H3
InChIKeyNPJAGIXHSFWBSI-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.04
Rot. Bonds1

About 1-(4-bromophenyl)-2,3,4-trimethylbenzene

1-(4-bromophenyl)-2,3,4-trimethylbenzene (PubChem CID 174839809) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3,4-trimethylbenzene
PubChem CID174839809
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-(4-bromophenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(C)c1C
InChIInChI=1S/C15H15Br/c1-10-4-9-15(12(3)11(10)2)13-5-7-14(16)8-6-13/h4-9H,1-3H3
InChIKeyNPJAGIXHSFWBSI-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3,4-trimethylbenzene?
The IUPAC name of 1-(4-bromophenyl)-2,3,4-trimethylbenzene (CID 174839809) is 1-(4-bromophenyl)-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,3,4-trimethylbenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,3,4-trimethylbenzene is Cc1ccc(-c2ccc(Br)cc2)c(C)c1C.
What is the InChIKey of 1-(4-bromophenyl)-2,3,4-trimethylbenzene?
The InChIKey is NPJAGIXHSFWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-10-4-9-15(12(3)11(10)2)13-5-7-14(16)8-6-13/h4-9H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2,3,4-trimethylbenzene?
1-(4-bromophenyl)-2,3,4-trimethylbenzene has a molecular weight of 275.19 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 174839809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).