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

C14H13Br — CID 71318489

IUPAC1-bromo-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H13Br/c1-11-6-2-3-7-12(11)10-13-8-4-5-9-14(13)15/h2-9H,10H2,1H3
InChIKeyTYUONNNIHIDVOC-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.35
Rot. Bonds2

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

1-bromo-2-[(2-methylphenyl)methyl]benzene (PubChem CID 71318489) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-bromo-2-[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-methylphenyl)methyl]benzene
PubChem CID71318489
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name1-bromo-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H13Br/c1-11-6-2-3-7-12(11)10-13-8-4-5-9-14(13)15/h2-9H,10H2,1H3
InChIKeyTYUONNNIHIDVOC-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-methylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(2-methylphenyl)methyl]benzene (CID 71318489) is 1-bromo-2-[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(2-methylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(2-methylphenyl)methyl]benzene is Cc1ccccc1Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-methylphenyl)methyl]benzene?
The InChIKey is TYUONNNIHIDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-11-6-2-3-7-12(11)10-13-8-4-5-9-14(13)15/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-2-[(2-methylphenyl)methyl]benzene?
1-bromo-2-[(2-methylphenyl)methyl]benzene has a molecular weight of 261.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 71318489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).