1-bromo-2-[(2-methylphenyl)methoxy]benzene

C14H13BrO — CID 28523390

IUPAC1-bromo-2-[(2-methylphenyl)methoxy]benzene
SMILESCc1ccccc1COc1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9H,10H2,1H3
InChIKeyMNAKLCXGEKAQMN-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.34
Rot. Bonds3

About 1-bromo-2-[(2-methylphenyl)methoxy]benzene

1-bromo-2-[(2-methylphenyl)methoxy]benzene (PubChem CID 28523390) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-2-[(2-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-methylphenyl)methoxy]benzene
PubChem CID28523390
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-2-[(2-methylphenyl)methoxy]benzene
SMILESCc1ccccc1COc1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9H,10H2,1H3
InChIKeyMNAKLCXGEKAQMN-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-methylphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-[(2-methylphenyl)methoxy]benzene (CID 28523390) is 1-bromo-2-[(2-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(2-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[(2-methylphenyl)methoxy]benzene is Cc1ccccc1COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-methylphenyl)methoxy]benzene?
The InChIKey is MNAKLCXGEKAQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-2-[(2-methylphenyl)methoxy]benzene?
1-bromo-2-[(2-methylphenyl)methoxy]benzene has a molecular weight of 277.16 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-methylphenyl)methoxy]benzene is sourced from PubChem (CID 28523390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).