1-bromo-3-(3-methoxyphenyl)benzene

C13H11BrO — CID 2757034

IUPAC1-bromo-3-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3
InChIKeyBWFKMPAEWOKIJB-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.12
Rot. Bonds2

About 1-bromo-3-(3-methoxyphenyl)benzene

1-bromo-3-(3-methoxyphenyl)benzene (PubChem CID 2757034) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-bromo-3-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-methoxyphenyl)benzene
PubChem CID2757034
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name1-bromo-3-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3
InChIKeyBWFKMPAEWOKIJB-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

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Related Compounds

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
3-bromo-5-(3-methoxyphenyl)benzamide
CID 170460020
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
bromozinc(1+);1-methoxy-3-phenylbenzene
CID 146002234
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-methoxyphenyl)benzene?
The IUPAC name of 1-bromo-3-(3-methoxyphenyl)benzene (CID 2757034) is 1-bromo-3-(3-methoxyphenyl)benzene.
What is the SMILES notation for 1-bromo-3-(3-methoxyphenyl)benzene?
The canonical SMILES for 1-bromo-3-(3-methoxyphenyl)benzene is COc1cccc(-c2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-(3-methoxyphenyl)benzene?
The InChIKey is BWFKMPAEWOKIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3.
What are the key properties of 1-bromo-3-(3-methoxyphenyl)benzene?
1-bromo-3-(3-methoxyphenyl)benzene 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 1-bromo-3-(3-methoxyphenyl)benzene is sourced from PubChem (CID 2757034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).