2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene

C15H13Br2ClO — CID 107723768

IUPAC2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccc(Br)cc2Cl)cc(C)c1Br
InChIInChI=1S/C15H13Br2ClO/c1-9-5-13(6-10(2)15(9)17)19-8-11-3-4-12(16)7-14(11)18/h3-7H,8H2,1-2H3
InChIKeyTVNQYHFDZLHYDG-UHFFFAOYSA-N
MW404.53 g/mol
LogP6.06
Rot. Bonds3

About 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene

2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 107723768) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID107723768
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccc(Br)cc2Cl)cc(C)c1Br
InChIInChI=1S/C15H13Br2ClO/c1-9-5-13(6-10(2)15(9)17)19-8-11-3-4-12(16)7-14(11)18/h3-7H,8H2,1-2H3
InChIKeyTVNQYHFDZLHYDG-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
2-amino-5-[(4-bromo-2-chlorophenyl)methoxy]benzoic acid
CID 107077061
4-[(6-bromonaphthalen-2-yl)oxymethyl]-3-chloroaniline
CID 63458613
4-[(4-bromo-3-methylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665972
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene (CID 107723768) is 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene is Cc1cc(OCc2ccc(Br)cc2Cl)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is TVNQYHFDZLHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-9-5-13(6-10(2)15(9)17)19-8-11-3-4-12(16)7-14(11)18/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene?
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene has a molecular weight of 404.53 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 107723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).