1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene

C15H15BrO — CID 51340411

IUPAC1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15BrO/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15H,1-2H3
InChIKeyRLOIDRDDXMVELY-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.49
Rot. Bonds3

About 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene

1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene (PubChem CID 51340411) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
PubChem CID51340411
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15BrO/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15H,1-2H3
InChIKeyRLOIDRDDXMVELY-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'}

Analyze 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
CID 63440600
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
4-[bromo-(4-methoxyphenyl)methyl]-1,2-diethylbenzene
CID 115483026

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene (CID 51340411) is 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene is COc1ccc(C(Br)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene?
The InChIKey is RLOIDRDDXMVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15H,1-2H3.
What are the key properties of 1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene?
1-[bromo-(4-methoxyphenyl)methyl]-4-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-(4-methoxyphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 51340411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).