1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene

C17H19BrO — CID 58823800

IUPAC1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene
SMILESCc1ccc([C@@H](C)COc2cc(C)ccc2Br)cc1
InChIInChI=1S/C17H19BrO/c1-12-4-7-15(8-5-12)14(3)11-19-17-10-13(2)6-9-16(17)18/h4-10,14H,11H2,1-3H3/t14-/m0/s1
InChIKeyCHWSHYWUWSMULA-AWEZNQCLSA-N
MW319.24 g/mol
LogP5.25
Rot. Bonds4

About 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene

1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene (PubChem CID 58823800) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene
PubChem CID58823800
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene
SMILESCc1ccc([C@@H](C)COc2cc(C)ccc2Br)cc1
InChIInChI=1S/C17H19BrO/c1-12-4-7-15(8-5-12)14(3)11-19-17-10-13(2)6-9-16(17)18/h4-10,14H,11H2,1-3H3/t14-/m0/s1
InChIKeyCHWSHYWUWSMULA-AWEZNQCLSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
CID 58242000
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(4-methylphenyl)propyl formate
CID 54000579
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
1-bromo-2-[(4-butan-2-ylphenyl)-chloromethyl]-4-methylbenzene
CID 81112235
2-[2-(bromomethyl)-3-methylbutoxy]-1-chloro-4-methylbenzene
CID 65012174
4-bromo-3-(2-methylbutoxy)aniline
CID 103008806

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene?
The IUPAC name of 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene (CID 58823800) is 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene.
What is the SMILES notation for 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene?
The canonical SMILES for 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene is Cc1ccc([C@@H](C)COc2cc(C)ccc2Br)cc1.
What is the InChIKey of 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene?
The InChIKey is CHWSHYWUWSMULA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19BrO/c1-12-4-7-15(8-5-12)14(3)11-19-17-10-13(2)6-9-16(17)18/h4-10,14H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene?
1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene has a molecular weight of 319.24 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene is sourced from PubChem (CID 58823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).