2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene

C15H15BrO — CID 14885530

IUPAC2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C15H15BrO/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyRMGPBQCFBFKJSO-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.47
Rot. Bonds4

About 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene

2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene (PubChem CID 14885530) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
PubChem CID14885530
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C15H15BrO/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyRMGPBQCFBFKJSO-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
CID 63535589
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methoxy]-4-methylbenzene
CID 103038481
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene (CID 14885530) is 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene is Cc1ccc(OCc2ccccc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene?
The InChIKey is RMGPBQCFBFKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene?
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene has a molecular weight of 291.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene is sourced from PubChem (CID 14885530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).