1-(4-bromophenyl)-2,4-dimethoxybenzene

C14H13BrO2 — CID 83666366

IUPAC1-(4-bromophenyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(-c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C14H13BrO2/c1-16-12-7-8-13(14(9-12)17-2)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyUPSXFJZZLOJTQY-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.13
Rot. Bonds3

About 1-(4-bromophenyl)-2,4-dimethoxybenzene

1-(4-bromophenyl)-2,4-dimethoxybenzene (PubChem CID 83666366) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4-dimethoxybenzene
PubChem CID83666366
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-(4-bromophenyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(-c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C14H13BrO2/c1-16-12-7-8-13(14(9-12)17-2)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyUPSXFJZZLOJTQY-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
CID 141163384
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3-(4-bromophenyl)-6-methoxy-1-benzothiophene
CID 15422641
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide
CID 150441477
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(4-bromophenyl)-2,4-dimethoxybenzene (CID 83666366) is 1-(4-bromophenyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,4-dimethoxybenzene is COc1ccc(-c2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 1-(4-bromophenyl)-2,4-dimethoxybenzene?
The InChIKey is UPSXFJZZLOJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-12-7-8-13(14(9-12)17-2)10-3-5-11(15)6-4-10/h3-9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2,4-dimethoxybenzene?
1-(4-bromophenyl)-2,4-dimethoxybenzene has a molecular weight of 293.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 83666366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).