1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene

C15H15BrO2 — CID 83133442

IUPAC1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
SMILESCc1cc(OCCOc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-12-11-14(7-8-15(12)16)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyXPDMLILLEHMQIL-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.22
Rot. Bonds5

About 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene

1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene (PubChem CID 83133442) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
PubChem CID83133442
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
SMILESCc1cc(OCCOc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-12-11-14(7-8-15(12)16)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyXPDMLILLEHMQIL-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene 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

3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130878
4-(4-bromo-3-methylphenoxy)butane-1-thiol
CID 83134310
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-fluoroaniline
CID 83141086
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816
1-bromo-2-methyl-4-(3-methylsulfonylpropoxy)benzene
CID 81301844
5-(4-bromo-3-methylphenoxy)-2,2-dimethylpentanoic acid
CID 83134209
2-phenoxyethylmercury
CID 163598363

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene?
The IUPAC name of 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene (CID 83133442) is 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene.
What is the SMILES notation for 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene?
The canonical SMILES for 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene is Cc1cc(OCCOc2ccccc2)ccc1Br.
What is the InChIKey of 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene?
The InChIKey is XPDMLILLEHMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-12-11-14(7-8-15(12)16)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene?
1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene has a molecular weight of 307.19 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 83133442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).