1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene

C24H24Br2O2 — CID 10505686

IUPAC1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene
SMILESCc1ccc(C)c(COc2cc(Br)c(Br)cc2OCc2cc(C)ccc2C)c1
InChIInChI=1S/C24H24Br2O2/c1-15-5-7-17(3)19(9-15)13-27-23-11-21(25)22(26)12-24(23)28-14-20-10-16(2)6-8-18(20)4/h5-12H,13-14H2,1-4H3
InChIKeyZMGWTTOCKDPNNS-UHFFFAOYSA-N
MW504.26 g/mol
LogP7.60
Rot. Bonds6

About 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene

1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene (PubChem CID 10505686) has the molecular formula C24H24Br2O2 and a molecular weight of 504.26 g/mol. Its IUPAC name is 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene
PubChem CID10505686
Molecular FormulaC24H24Br2O2
Molecular Weight504.26 g/mol
Exact Mass502.01
IUPAC Name1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene
SMILESCc1ccc(C)c(COc2cc(Br)c(Br)cc2OCc2cc(C)ccc2C)c1
InChIInChI=1S/C24H24Br2O2/c1-15-5-7-17(3)19(9-15)13-27-23-11-21(25)22(26)12-24(23)28-14-20-10-16(2)6-8-18(20)4/h5-12H,13-14H2,1-4H3
InChIKeyZMGWTTOCKDPNNS-UHFFFAOYSA-N
XLogP7.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.26
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene?
The IUPAC name of 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene (CID 10505686) is 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene.
What is the SMILES notation for 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene?
The canonical SMILES for 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene is Cc1ccc(C)c(COc2cc(Br)c(Br)cc2OCc2cc(C)ccc2C)c1.
What is the InChIKey of 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene?
The InChIKey is ZMGWTTOCKDPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2O2/c1-15-5-7-17(3)19(9-15)13-27-23-11-21(25)22(26)12-24(23)28-14-20-10-16(2)6-8-18(20)4/h5-12H,13-14H2,1-4H3.
What are the key properties of 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene?
1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene has a molecular weight of 504.26 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4,5-bis[(2,5-dimethylphenyl)methoxy]benzene is sourced from PubChem (CID 10505686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).