2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene

C15H14Br2O — CID 114060623

IUPAC2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1ccc(CBr)c(Br)c1
InChIInChI=1S/C15H14Br2O/c1-2-11-5-3-4-6-15(11)18-13-8-7-12(10-16)14(17)9-13/h3-9H,2,10H2,1H3
InChIKeyQWGYSJLTYOWRNO-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.70
Rot. Bonds4

About 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene

2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene (PubChem CID 114060623) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
PubChem CID114060623
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1ccc(CBr)c(Br)c1
InChIInChI=1S/C15H14Br2O/c1-2-11-5-3-4-6-15(11)18-13-8-7-12(10-16)14(17)9-13/h3-9H,2,10H2,1H3
InChIKeyQWGYSJLTYOWRNO-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)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

2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
CID 142071231
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
CID 90971991
1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
CID 168868572
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene?
The IUPAC name of 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene (CID 114060623) is 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene.
What is the SMILES notation for 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene?
The canonical SMILES for 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene is CCc1ccccc1Oc1ccc(CBr)c(Br)c1.
What is the InChIKey of 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene?
The InChIKey is QWGYSJLTYOWRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-2-11-5-3-4-6-15(11)18-13-8-7-12(10-16)14(17)9-13/h3-9H,2,10H2,1H3.
What are the key properties of 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene?
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene has a molecular weight of 370.08 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene is sourced from PubChem (CID 114060623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).