1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene

C22H20Br2O2 — CID 134865576

IUPAC1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(Cc2ccc(Br)cc2)cc1Cc1ccc(Br)cc1
InChIInChI=1S/C22H20Br2O2/c1-25-21-14-22(26-2)18(12-16-5-9-20(24)10-6-16)13-17(21)11-15-3-7-19(23)8-4-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyPCQXBZLEDLATLJ-UHFFFAOYSA-N
MW476.21 g/mol
LogP6.41
Rot. Bonds6

About 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene

1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 134865576) has the molecular formula C22H20Br2O2 and a molecular weight of 476.21 g/mol. Its IUPAC name is 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
PubChem CID134865576
Molecular FormulaC22H20Br2O2
Molecular Weight476.21 g/mol
Exact Mass473.98
IUPAC Name1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1cc(OC)c(Cc2ccc(Br)cc2)cc1Cc1ccc(Br)cc1
InChIInChI=1S/C22H20Br2O2/c1-25-21-14-22(26-2)18(12-16-5-9-20(24)10-6-16)13-17(21)11-15-3-7-19(23)8-4-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyPCQXBZLEDLATLJ-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.21
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1,3,5-trimethoxy-2-(phenylmethyl)-
CID 89845
7-[(4-Bromophenyl)methoxy]-2,2,8-trimethylchromene
CID 4247855
1-[(Z)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
CID 24883274
1-[(1E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
CID 24721128
2H-1-Benzopyran, 4-(4-(2-bromoethoxy)phenyl)-7-methoxy-2,2-dimethyl-3-phenyl-
CID 100570
2'-Bromo-2,6-dimethoxybiphenyl
CID 16217965
1,3-Dimethoxy-5-[3-(4-methoxyphenyl)phenyl]benzene
CID 11594901
4-Bromobenzyl-(3-methoxyphenyl)ether
CID 60627106
1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene
CID 155525363
1,3-dimethoxy-5-[(Z)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene
CID 155527560
(1E,4E)-1-(4-bromophenyl)-5-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]penta-1,4-dien-3-one
CID 57402870
2-Bromo-2',6'-diisopropoxy-1,1'-biphenyl
CID 16218107

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene (CID 134865576) is 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene is COc1cc(OC)c(Cc2ccc(Br)cc2)cc1Cc1ccc(Br)cc1.
What is the InChIKey of 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is PCQXBZLEDLATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2O2/c1-25-21-14-22(26-2)18(12-16-5-9-20(24)10-6-16)13-17(21)11-15-3-7-19(23)8-4-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene?
1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 476.21 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(4-bromophenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 134865576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).