1-[bromo(phenyl)methyl]-2-methylbenzene

C14H13Br — CID 12875470

IUPAC1-[bromo(phenyl)methyl]-2-methylbenzene
SMILESCc1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C14H13Br/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyCDVGBAUAPNIFPX-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.48
Rot. Bonds2

About 1-[bromo(phenyl)methyl]-2-methylbenzene

1-[bromo(phenyl)methyl]-2-methylbenzene (PubChem CID 12875470) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-[bromo(phenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[bromo(phenyl)methyl]-2-methylbenzene
PubChem CID12875470
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name1-[bromo(phenyl)methyl]-2-methylbenzene
SMILESCc1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C14H13Br/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKeyCDVGBAUAPNIFPX-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-[bromo(phenyl)methyl]-2-iodobenzene
CID 63437081
(2-methylphenyl)-phenylmethanamine
CID 15254157
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
CID 63437033
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
1-[(1S)-4-bromo-1-phenylbutyl]-2-methylbenzene
CID 125465352
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712
CID 66989853
CID 66989853
2-[bromo(phenyl)methyl]benzonitrile
CID 13244726
2-[(S)-bromo(phenyl)methyl]benzoic acid
CID 99639138
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(phenyl)methyl]-2-methylbenzene?
The IUPAC name of 1-[bromo(phenyl)methyl]-2-methylbenzene (CID 12875470) is 1-[bromo(phenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 1-[bromo(phenyl)methyl]-2-methylbenzene?
The canonical SMILES for 1-[bromo(phenyl)methyl]-2-methylbenzene is Cc1ccccc1C(Br)c1ccccc1.
What is the InChIKey of 1-[bromo(phenyl)methyl]-2-methylbenzene?
The InChIKey is CDVGBAUAPNIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3.
What are the key properties of 1-[bromo(phenyl)methyl]-2-methylbenzene?
1-[bromo(phenyl)methyl]-2-methylbenzene has a molecular weight of 261.16 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(phenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 12875470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).