4-bromo-2-methoxy-1-phenylbenzene

C13H11BrO — CID 18379655

IUPAC4-bromo-2-methoxy-1-phenylbenzene
SMILESCOc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZREIJSSRWLYNDK-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.12
Rot. Bonds2

About 4-bromo-2-methoxy-1-phenylbenzene

4-bromo-2-methoxy-1-phenylbenzene (PubChem CID 18379655) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-phenylbenzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-phenylbenzene
PubChem CID18379655
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name4-bromo-2-methoxy-1-phenylbenzene
SMILESCOc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZREIJSSRWLYNDK-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-methoxy-1-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
CID 171394460
1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
2-(3-bromophenyl)-3-methoxynaphthalene
CID 142353685
5-bromo-N-methyl-2-phenylaniline
CID 69363671
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
4-bromo-2-chloro-1-phenylbenzene
CID 13457416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-phenylbenzene?
The IUPAC name of 4-bromo-2-methoxy-1-phenylbenzene (CID 18379655) is 4-bromo-2-methoxy-1-phenylbenzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-phenylbenzene?
The canonical SMILES for 4-bromo-2-methoxy-1-phenylbenzene is COc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-methoxy-1-phenylbenzene?
The InChIKey is ZREIJSSRWLYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 4-bromo-2-methoxy-1-phenylbenzene?
4-bromo-2-methoxy-1-phenylbenzene has a molecular weight of 263.13 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1-phenylbenzene is sourced from PubChem (CID 18379655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).