1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene

C15H15BrO — CID 58027393

IUPAC1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(C(Br)c2ccccc2)c1
InChIInChI=1S/C15H15BrO/c1-11-8-13(10-14(9-11)17-2)15(16)12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyDVHPFSYWUFCWSN-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.49
Rot. Bonds3

About 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene

1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene (PubChem CID 58027393) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
PubChem CID58027393
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
SMILESCOc1cc(C)cc(C(Br)c2ccccc2)c1
InChIInChI=1S/C15H15BrO/c1-11-8-13(10-14(9-11)17-2)15(16)12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyDVHPFSYWUFCWSN-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.49
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

1-[bromo(phenyl)methyl]-3-chloro-5-methylbenzene
CID 81324401
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
5-[bromo(phenyl)methyl]-1,2,3-trimethoxybenzene
CID 61083701
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438910
3-methoxy-5-methyl-N-phenylaniline
CID 139833752
2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
CID 91405361
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
CID 63441977
1,3-dibenzhydryl-5-methoxy-2-methylbenzene
CID 170203409

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene?
The IUPAC name of 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene (CID 58027393) is 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene.
What is the SMILES notation for 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene?
The canonical SMILES for 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene is COc1cc(C)cc(C(Br)c2ccccc2)c1.
What is the InChIKey of 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene?
The InChIKey is DVHPFSYWUFCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-8-13(10-14(9-11)17-2)15(16)12-6-4-3-5-7-12/h3-10,15H,1-2H3.
What are the key properties of 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene?
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene has a molecular weight of 291.19 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene is sourced from PubChem (CID 58027393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).