2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene

C15H15BrO — CID 117221819

IUPAC2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9H,10H2,1-2H3
InChIKeyMAXBOVGIEANGJF-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.64
Rot. Bonds3

About 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene

2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene (PubChem CID 117221819) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
PubChem CID117221819
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9H,10H2,1-2H3
InChIKeyMAXBOVGIEANGJF-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
N-[[3-bromo-4-[(3-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 102773019
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
pentafluoro-[4-[(3-methylphenoxy)methyl]phenyl]-λ6-sulfane
CID 177287975

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene (CID 117221819) is 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene is Cc1cccc(OCc2ccc(C)c(Br)c2)c1.
What is the InChIKey of 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene?
The InChIKey is MAXBOVGIEANGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-4-3-5-14(8-11)17-10-13-7-6-12(2)15(16)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene?
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene has a molecular weight of 291.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 117221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).