1,5-dibromo-2-methoxy-3-phenylbenzene

C13H10Br2O — CID 164895909

IUPAC1,5-dibromo-2-methoxy-3-phenylbenzene
SMILESCOc1c(Br)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C13H10Br2O/c1-16-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMPKCLFMSMODXBS-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.89
Rot. Bonds2

About 1,5-dibromo-2-methoxy-3-phenylbenzene

1,5-dibromo-2-methoxy-3-phenylbenzene (PubChem CID 164895909) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is 1,5-dibromo-2-methoxy-3-phenylbenzene.

Molecular Properties

Compound Name1,5-dibromo-2-methoxy-3-phenylbenzene
PubChem CID164895909
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Name1,5-dibromo-2-methoxy-3-phenylbenzene
SMILESCOc1c(Br)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C13H10Br2O/c1-16-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMPKCLFMSMODXBS-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-methoxy-3-phenylbenzene?
The IUPAC name of 1,5-dibromo-2-methoxy-3-phenylbenzene (CID 164895909) is 1,5-dibromo-2-methoxy-3-phenylbenzene.
What is the SMILES notation for 1,5-dibromo-2-methoxy-3-phenylbenzene?
The canonical SMILES for 1,5-dibromo-2-methoxy-3-phenylbenzene is COc1c(Br)cc(Br)cc1-c1ccccc1.
What is the InChIKey of 1,5-dibromo-2-methoxy-3-phenylbenzene?
The InChIKey is MPKCLFMSMODXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O/c1-16-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1,5-dibromo-2-methoxy-3-phenylbenzene?
1,5-dibromo-2-methoxy-3-phenylbenzene has a molecular weight of 342.03 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-methoxy-3-phenylbenzene is sourced from PubChem (CID 164895909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).