1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene

C15H15BrO — CID 164573942

IUPAC1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
SMILESCc1cccc(COc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-11-4-3-5-13(6-11)10-17-15-8-12(2)7-14(16)9-15/h3-9H,10H2,1-2H3
InChIKeyBZQBCOMEGXUMSF-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.64
Rot. Bonds3

About 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene

1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene (PubChem CID 164573942) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
PubChem CID164573942
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
SMILESCc1cccc(COc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-11-4-3-5-13(6-11)10-17-15-8-12(2)7-14(16)9-15/h3-9H,10H2,1-2H3
InChIKeyBZQBCOMEGXUMSF-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

1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene (CID 164573942) is 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene is Cc1cccc(COc2cc(C)cc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene?
The InChIKey is BZQBCOMEGXUMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-4-3-5-13(6-11)10-17-15-8-12(2)7-14(16)9-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene?
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]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 1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene is sourced from PubChem (CID 164573942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).