1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene

C20H24Br2O4 — CID 71326987

IUPAC1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
SMILESCOc1cc(C(c2cc(OC)c(Br)cc2OC)C(C)C)c(OC)cc1Br
InChIInChI=1S/C20H24Br2O4/c1-11(2)20(12-7-18(25-5)14(21)9-16(12)23-3)13-8-19(26-6)15(22)10-17(13)24-4/h7-11,20H,1-6H3
InChIKeyKNVZYPQRPPCVTA-UHFFFAOYSA-N
MW488.22 g/mol
LogP6.03
Rot. Bonds7

About 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene

1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene (PubChem CID 71326987) has the molecular formula C20H24Br2O4 and a molecular weight of 488.22 g/mol. Its IUPAC name is 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
PubChem CID71326987
Molecular FormulaC20H24Br2O4
Molecular Weight488.22 g/mol
Exact Mass486.00
IUPAC Name1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
SMILESCOc1cc(C(c2cc(OC)c(Br)cc2OC)C(C)C)c(OC)cc1Br
InChIInChI=1S/C20H24Br2O4/c1-11(2)20(12-7-18(25-5)14(21)9-16(12)23-3)13-8-19(26-6)15(22)10-17(13)24-4/h7-11,20H,1-6H3
InChIKeyKNVZYPQRPPCVTA-UHFFFAOYSA-N
XLogP6.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171265464
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
1-bromo-4-(1-bromo-2,2-difluoroethyl)-2,5-dimethoxybenzene
CID 103514676
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
CID 10042912
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-bromo-4-(1-bromo-2-methylsulfonylpropyl)-2,5-dimethoxybenzene
CID 105057451
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-bromo-4-(1-chloro-2-methylsulfonylpropyl)-2,5-dimethoxybenzene
CID 105057278

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene (CID 71326987) is 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene is COc1cc(C(c2cc(OC)c(Br)cc2OC)C(C)C)c(OC)cc1Br.
What is the InChIKey of 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene?
The InChIKey is KNVZYPQRPPCVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O4/c1-11(2)20(12-7-18(25-5)14(21)9-16(12)23-3)13-8-19(26-6)15(22)10-17(13)24-4/h7-11,20H,1-6H3.
What are the key properties of 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene?
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene has a molecular weight of 488.22 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene is sourced from PubChem (CID 71326987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).