4-(3-bromophenyl)-1,2-dimethoxybenzene

C14H13BrO2 — CID 83666367

IUPAC4-(3-bromophenyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(-c2cccc(Br)c2)cc1OC
InChIInChI=1S/C14H13BrO2/c1-16-13-7-6-11(9-14(13)17-2)10-4-3-5-12(15)8-10/h3-9H,1-2H3
InChIKeyBYRIIKLVIJFBLR-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.13
Rot. Bonds3

About 4-(3-bromophenyl)-1,2-dimethoxybenzene

4-(3-bromophenyl)-1,2-dimethoxybenzene (PubChem CID 83666367) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(3-bromophenyl)-1,2-dimethoxybenzene
PubChem CID83666367
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name4-(3-bromophenyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(-c2cccc(Br)c2)cc1OC
InChIInChI=1S/C14H13BrO2/c1-16-13-7-6-11(9-14(13)17-2)10-4-3-5-12(15)8-10/h3-9H,1-2H3
InChIKeyBYRIIKLVIJFBLR-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-2-methoxyaniline
CID 115503810
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
2-(3-bromophenyl)-3-methoxynaphthalene
CID 142353685
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
1-bromo-3-phenylbenzene;ethane
CID 163977967
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(3-bromophenyl)-1,2-dimethoxybenzene (CID 83666367) is 4-(3-bromophenyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(3-bromophenyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(3-bromophenyl)-1,2-dimethoxybenzene is COc1ccc(-c2cccc(Br)c2)cc1OC.
What is the InChIKey of 4-(3-bromophenyl)-1,2-dimethoxybenzene?
The InChIKey is BYRIIKLVIJFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-13-7-6-11(9-14(13)17-2)10-4-3-5-12(15)8-10/h3-9H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-1,2-dimethoxybenzene?
4-(3-bromophenyl)-1,2-dimethoxybenzene has a molecular weight of 293.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 83666367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).