3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene

C19H23BrO — CID 63442220

IUPAC3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCCOc1ccc(C(Br)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C19H23BrO/c1-6-21-17-9-7-16(8-10-17)19(20)18-14(4)12(2)11-13(3)15(18)5/h7-11,19H,6H2,1-5H3
InChIKeyZFSJPZLAGXNHJH-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.80
Rot. Bonds4

About 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene

3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 63442220) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID63442220
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
SMILESCCOc1ccc(C(Br)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C19H23BrO/c1-6-21-17-9-7-16(8-10-17)19(20)18-14(4)12(2)11-13(3)15(18)5/h7-11,19H,6H2,1-5H3
InChIKeyZFSJPZLAGXNHJH-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene 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-[bromo-(4-ethoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880050
(4-ethoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61088282
4-[bromo-(4-ethoxyphenyl)methyl]-2-fluoro-1-methylbenzene
CID 63437544
4-[bromo-(4-ethoxyphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63437396
3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
1-[bromo-(4-ethoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324561
1-[bromo-(4-ethoxyphenyl)methyl]-4-methylsulfanylbenzene
CID 79217159
1-[bromo-(4-ethoxyphenyl)methyl]-3-iodobenzene
CID 63437226
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene (CID 63442220) is 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene is CCOc1ccc(C(Br)c2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is ZFSJPZLAGXNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-6-21-17-9-7-16(8-10-17)19(20)18-14(4)12(2)11-13(3)15(18)5/h7-11,19H,6H2,1-5H3.
What are the key properties of 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene?
3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 347.30 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 63442220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).