2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene

C18H21BrO2 — CID 63447610

IUPAC2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Br)Cc1cccc(OC)c1
InChIInChI=1S/C18H21BrO2/c1-4-21-18-9-8-13(2)10-16(18)17(19)12-14-6-5-7-15(11-14)20-3/h5-11,17H,4,12H2,1-3H3
InChIKeyHPZWLIVCRKVNSB-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.08
Rot. Bonds6

About 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene

2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene (PubChem CID 63447610) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
PubChem CID63447610
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Br)Cc1cccc(OC)c1
InChIInChI=1S/C18H21BrO2/c1-4-21-18-9-8-13(2)10-16(18)17(19)12-14-6-5-7-15(11-14)20-3/h5-11,17H,4,12H2,1-3H3
InChIKeyHPZWLIVCRKVNSB-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-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

2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029620
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
3-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,5-dimethylthiophene
CID 63440545
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890425
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447650
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene?
The IUPAC name of 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene (CID 63447610) is 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene.
What is the SMILES notation for 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene?
The canonical SMILES for 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene is CCOc1ccc(C)cc1C(Br)Cc1cccc(OC)c1.
What is the InChIKey of 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene?
The InChIKey is HPZWLIVCRKVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-4-21-18-9-8-13(2)10-16(18)17(19)12-14-6-5-7-15(11-14)20-3/h5-11,17H,4,12H2,1-3H3.
What are the key properties of 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene?
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene has a molecular weight of 349.27 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene is sourced from PubChem (CID 63447610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).