2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene

C21H26Br2O2 — CID 21039854

IUPAC2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
SMILESCOc1ccc(CC(C)CC(C)Cc2ccc(OC)cc2Br)c(Br)c1
InChIInChI=1S/C21H26Br2O2/c1-14(10-16-5-7-18(24-3)12-20(16)22)9-15(2)11-17-6-8-19(25-4)13-21(17)23/h5-8,12-15H,9-11H2,1-4H3
InChIKeyYQKSDOREPBKOTJ-UHFFFAOYSA-N
MW470.25 g/mol
LogP6.68
Rot. Bonds8

About 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene

2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene (PubChem CID 21039854) has the molecular formula C21H26Br2O2 and a molecular weight of 470.25 g/mol. Its IUPAC name is 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
PubChem CID21039854
Molecular FormulaC21H26Br2O2
Molecular Weight470.25 g/mol
Exact Mass468.03
IUPAC Name2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
SMILESCOc1ccc(CC(C)CC(C)Cc2ccc(OC)cc2Br)c(Br)c1
InChIInChI=1S/C21H26Br2O2/c1-14(10-16-5-7-18(24-3)12-20(16)22)9-15(2)11-17-6-8-19(25-4)13-21(17)23/h5-8,12-15H,9-11H2,1-4H3
InChIKeyYQKSDOREPBKOTJ-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.25
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
2-bromo-4-methoxy-1-(propan-2-ylsulfanylmethyl)benzene
CID 117221433
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
5-(2-ethyl-4-methoxyphenyl)-4-methylpentan-2-amine
CID 83941578
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene (CID 21039854) is 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene is COc1ccc(CC(C)CC(C)Cc2ccc(OC)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene?
The InChIKey is YQKSDOREPBKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Br2O2/c1-14(10-16-5-7-18(24-3)12-20(16)22)9-15(2)11-17-6-8-19(25-4)13-21(17)23/h5-8,12-15H,9-11H2,1-4H3.
What are the key properties of 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene?
2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene has a molecular weight of 470.25 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene is sourced from PubChem (CID 21039854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).