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

C15H14Br2O — CID 107723747

IUPAC2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccccc2Br)cc(C)c1Br
InChIInChI=1S/C15H14Br2O/c1-10-7-13(8-11(2)15(10)17)18-9-12-5-3-4-6-14(12)16/h3-8H,9H2,1-2H3
InChIKeyWPBIWQGFXQQKMQ-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.41
Rot. Bonds3

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

2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 107723747) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID107723747
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCc2ccccc2Br)cc(C)c1Br
InChIInChI=1S/C15H14Br2O/c1-10-7-13(8-11(2)15(10)17)18-9-12-5-3-4-6-14(12)16/h3-8H,9H2,1-2H3
InChIKeyWPBIWQGFXQQKMQ-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.41
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
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
methyl 2-amino-5-[(2-bromophenyl)methoxy]-3-methylbenzoate
CID 82803746
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723768
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724
3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
CID 102818236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene (CID 107723747) is 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene is Cc1cc(OCc2ccccc2Br)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is WPBIWQGFXQQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-10-7-13(8-11(2)15(10)17)18-9-12-5-3-4-6-14(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene?
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene has a molecular weight of 370.08 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 107723747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).