1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene

C14H12BrClO — CID 83133451

IUPAC1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C14H12BrClO/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyXUCAPJXIXGWXJG-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.99
Rot. Bonds3

About 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene

1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene (PubChem CID 83133451) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
PubChem CID83133451
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C14H12BrClO/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyXUCAPJXIXGWXJG-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
5-[(4-bromo-3-methylphenoxy)methyl]-3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 1348356
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene (CID 83133451) is 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene is Cc1cc(OCc2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene?
The InChIKey is XUCAPJXIXGWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-10-8-13(6-7-14(10)15)17-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene has a molecular weight of 311.61 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 83133451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).