1-bromo-3-[(4-bromophenyl)methoxy]benzene

C13H10Br2O — CID 29283303

IUPAC1-bromo-3-[(4-bromophenyl)methoxy]benzene
SMILESBrc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10Br2O/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9H2
InChIKeyBFEDFUUFQQVEMJ-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.79
Rot. Bonds3

About 1-bromo-3-[(4-bromophenyl)methoxy]benzene

1-bromo-3-[(4-bromophenyl)methoxy]benzene (PubChem CID 29283303) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is 1-bromo-3-[(4-bromophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[(4-bromophenyl)methoxy]benzene
PubChem CID29283303
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Name1-bromo-3-[(4-bromophenyl)methoxy]benzene
SMILESBrc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10Br2O/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9H2
InChIKeyBFEDFUUFQQVEMJ-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Bromomethyl)-3-phenoxybenzene
CID 94544
Benzyl Phenyl Ether
CID 70352
1-(Benzyloxy)-3-bromobenzene
CID 2756638
3-Bromodiphenyl ether
CID 96165
1-Bromo-4-phenylmethoxybenzene
CID 138835
1-Bromo-4-[(4-iodophenyl)methoxy]benzene
CID 65479031
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
4-Bromo-4'-methoxybiphenyl
CID 4034005
1-Bromo-4-(phenoxymethyl)benzene
CID 726149
3-[(m-Bromophenyl)methoxy]bromobenzene
CID 22601752
5-[(4-Bromo-2,6-difluorophenyl)difluoromethoxy]-1,2,3-trifluorobenzene
CID 21049705
1-Bromo-3-(2-bromoethoxy)benzene
CID 2384209

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-bromophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-3-[(4-bromophenyl)methoxy]benzene (CID 29283303) is 1-bromo-3-[(4-bromophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-3-[(4-bromophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-3-[(4-bromophenyl)methoxy]benzene is Brc1ccc(COc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-bromophenyl)methoxy]benzene?
The InChIKey is BFEDFUUFQQVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9H2.
What are the key properties of 1-bromo-3-[(4-bromophenyl)methoxy]benzene?
1-bromo-3-[(4-bromophenyl)methoxy]benzene has a molecular weight of 342.03 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-bromophenyl)methoxy]benzene is sourced from PubChem (CID 29283303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).