1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene

C14H12Br2O — CID 90975189

IUPAC1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
SMILESCOc1ccc(C)c(-c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br2O/c1-9-3-5-11(17-2)8-12(9)13-7-10(15)4-6-14(13)16/h3-8H,1-2H3
InChIKeyPEQHYYJUTQSAHJ-UHFFFAOYSA-N
MW356.06 g/mol
LogP5.20
Rot. Bonds2

About 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene

1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene (PubChem CID 90975189) has the molecular formula C14H12Br2O and a molecular weight of 356.06 g/mol. Its IUPAC name is 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
PubChem CID90975189
Molecular FormulaC14H12Br2O
Molecular Weight356.06 g/mol
Exact Mass353.93
IUPAC Name1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
SMILESCOc1ccc(C)c(-c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br2O/c1-9-3-5-11(17-2)8-12(9)13-7-10(15)4-6-14(13)16/h3-8H,1-2H3
InChIKeyPEQHYYJUTQSAHJ-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.06
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
4-bromo-2-(5-bromo-2-methylphenyl)phenol
CID 170237414
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene
CID 146258257
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
O-(3-bromo-4-methylphenyl)hydroxylamine
CID 131165484
1,4-dibromo-2-(4-methylphenyl)benzene
CID 18458568

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene?
The IUPAC name of 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene (CID 90975189) is 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene.
What is the SMILES notation for 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene?
The canonical SMILES for 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene is COc1ccc(C)c(-c2cc(Br)ccc2Br)c1.
What is the InChIKey of 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene?
The InChIKey is PEQHYYJUTQSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O/c1-9-3-5-11(17-2)8-12(9)13-7-10(15)4-6-14(13)16/h3-8H,1-2H3.
What are the key properties of 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene?
1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene has a molecular weight of 356.06 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene is sourced from PubChem (CID 90975189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).