1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene

C15H15BrO2 — CID 69450374

IUPAC1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene
SMILESCOc1ccc(Br)c(OC)c1-c1cccc(C)c1
InChIInChI=1S/C15H15BrO2/c1-10-5-4-6-11(9-10)14-13(17-2)8-7-12(16)15(14)18-3/h4-9H,1-3H3
InChIKeyRRWAICZUWSXZOH-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.44
Rot. Bonds3

About 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene

1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene (PubChem CID 69450374) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene
PubChem CID69450374
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene
SMILESCOc1ccc(Br)c(OC)c1-c1cccc(C)c1
InChIInChI=1S/C15H15BrO2/c1-10-5-4-6-11(9-10)14-13(17-2)8-7-12(16)15(14)18-3/h4-9H,1-3H3
InChIKeyRRWAICZUWSXZOH-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43423608
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene
CID 140991368
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene
CID 145448133

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene?
The IUPAC name of 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene (CID 69450374) is 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene?
The canonical SMILES for 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene is COc1ccc(Br)c(OC)c1-c1cccc(C)c1.
What is the InChIKey of 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene?
The InChIKey is RRWAICZUWSXZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-5-4-6-11(9-10)14-13(17-2)8-7-12(16)15(14)18-3/h4-9H,1-3H3.
What are the key properties of 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene?
1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene has a molecular weight of 307.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethoxy-3-(3-methylphenyl)benzene is sourced from PubChem (CID 69450374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).