1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene

C15H15BrO — CID 83666215

IUPAC1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
SMILESCOc1cc(C)c(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H15BrO/c1-10-8-14(15(17-3)9-11(10)2)12-4-6-13(16)7-5-12/h4-9H,1-3H3
InChIKeyBLBBDPOSOLFFGO-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.74
Rot. Bonds2

About 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene

1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene (PubChem CID 83666215) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
PubChem CID83666215
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
SMILESCOc1cc(C)c(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H15BrO/c1-10-8-14(15(17-3)9-11(10)2)12-4-6-13(16)7-5-12/h4-9H,1-3H3
InChIKeyBLBBDPOSOLFFGO-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
3-bromo-6-(2-methoxy-4,5-dimethylphenyl)pyridazine
CID 82094371
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
CID 141163384
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178267

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene?
The IUPAC name of 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene (CID 83666215) is 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene?
The canonical SMILES for 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene is COc1cc(C)c(C)cc1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene?
The InChIKey is BLBBDPOSOLFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-10-8-14(15(17-3)9-11(10)2)12-4-6-13(16)7-5-12/h4-9H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene?
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene has a molecular weight of 291.19 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene is sourced from PubChem (CID 83666215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).