1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene

C15H14BrClO — CID 106863672

IUPAC1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
SMILESCc1ccc(COc2ccc(Br)c(C)c2)c(Cl)c1
InChIInChI=1S/C15H14BrClO/c1-10-3-4-12(15(17)7-10)9-18-13-5-6-14(16)11(2)8-13/h3-8H,9H2,1-2H3
InChIKeyYTPHZYWGVGRYQU-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.30
Rot. Bonds3

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

1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene (PubChem CID 106863672) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
PubChem CID106863672
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
SMILESCc1ccc(COc2ccc(Br)c(C)c2)c(Cl)c1
InChIInChI=1S/C15H14BrClO/c1-10-3-4-12(15(17)7-10)9-18-13-5-6-14(16)11(2)8-13/h3-8H,9H2,1-2H3
InChIKeyYTPHZYWGVGRYQU-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-bromo-3-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665972
3-[(4-bromo-3-methylphenoxy)methyl]-2,6-dichloropyridine
CID 106994644
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723768
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
CID 106864305
2-chloro-1-[(3-fluoro-4-nitrophenoxy)methyl]-4-methylbenzene
CID 106870898
2-[(4-bromo-3-methylphenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83133517
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene (CID 106863672) is 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene is Cc1ccc(COc2ccc(Br)c(C)c2)c(Cl)c1.
What is the InChIKey of 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene?
The InChIKey is YTPHZYWGVGRYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-3-4-12(15(17)7-10)9-18-13-5-6-14(16)11(2)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene has a molecular weight of 325.63 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 106863672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).