4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene

C13H17BrO2 — CID 106203721

IUPAC4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COCCC1CC1
InChIInChI=1S/C13H17BrO2/c1-15-13-5-4-12(14)8-11(13)9-16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyWNFWJDPFYJPRHS-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.77
Rot. Bonds6

About 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene

4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene (PubChem CID 106203721) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
PubChem CID106203721
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COCCC1CC1
InChIInChI=1S/C13H17BrO2/c1-15-13-5-4-12(14)8-11(13)9-16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyWNFWJDPFYJPRHS-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene 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

2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006552
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene (CID 106203721) is 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene is COc1ccc(Br)cc1COCCC1CC1.
What is the InChIKey of 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene?
The InChIKey is WNFWJDPFYJPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-15-13-5-4-12(14)8-11(13)9-16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene?
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene has a molecular weight of 285.18 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene is sourced from PubChem (CID 106203721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).