2-(4-bromophenyl)-1-methoxy-4-methylbenzene

C14H13BrO — CID 83665556

IUPAC2-(4-bromophenyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C14H13BrO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-9H,1-2H3
InChIKeyPQFUSKSNZGWRFK-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.43
Rot. Bonds2

About 2-(4-bromophenyl)-1-methoxy-4-methylbenzene

2-(4-bromophenyl)-1-methoxy-4-methylbenzene (PubChem CID 83665556) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methoxy-4-methylbenzene
PubChem CID83665556
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name2-(4-bromophenyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C14H13BrO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-9H,1-2H3
InChIKeyPQFUSKSNZGWRFK-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
2-(4-bromophenyl)-4-methylphenol
CID 15169349
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
CID 82039191
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(4-bromophenyl)-1-methoxy-4-methylbenzene (CID 83665556) is 2-(4-bromophenyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(4-bromophenyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(4-bromophenyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-methoxy-4-methylbenzene?
The InChIKey is PQFUSKSNZGWRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-9H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-methoxy-4-methylbenzene?
2-(4-bromophenyl)-1-methoxy-4-methylbenzene has a molecular weight of 277.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 83665556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).