4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene

C14H14BrClO2S — CID 63535667

IUPAC4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
SMILESCCOc1cc(CCl)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H14BrClO2S/c1-2-17-14-5-10(7-16)3-4-13(14)18-8-12-6-11(15)9-19-12/h3-6,9H,2,7-8H2,1H3
InChIKeyRGFGXLRLZGKORX-UHFFFAOYSA-N
MW361.69 g/mol
LogP5.23
Rot. Bonds6

About 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene

4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene (PubChem CID 63535667) has the molecular formula C14H14BrClO2S and a molecular weight of 361.69 g/mol. Its IUPAC name is 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
PubChem CID63535667
Molecular FormulaC14H14BrClO2S
Molecular Weight361.69 g/mol
Exact Mass359.96
IUPAC Name4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
SMILESCCOc1cc(CCl)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H14BrClO2S/c1-2-17-14-5-10(7-16)3-4-13(14)18-8-12-6-11(15)9-19-12/h3-6,9H,2,7-8H2,1H3
InChIKeyRGFGXLRLZGKORX-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.69
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene 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-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
4-bromo-2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]thiophene
CID 63534490
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
4-bromo-2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 63536703
4-bromo-2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]thiophene
CID 63535500
[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
CID 63045122
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The IUPAC name of 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene (CID 63535667) is 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The canonical SMILES for 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene is CCOc1cc(CCl)ccc1OCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The InChIKey is RGFGXLRLZGKORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2S/c1-2-17-14-5-10(7-16)3-4-13(14)18-8-12-6-11(15)9-19-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene has a molecular weight of 361.69 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene is sourced from PubChem (CID 63535667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).