2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene

C14H13Br2ClO2S — CID 43627312

IUPAC2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
SMILESCCOc1cc(CBr)cc(Br)c1OCc1ccc(Cl)s1
InChIInChI=1S/C14H13Br2ClO2S/c1-2-18-12-6-9(7-15)5-11(16)14(12)19-8-10-3-4-13(17)20-10/h3-6H,2,7-8H2,1H3
InChIKeyHJACOVGDIZCACB-UHFFFAOYSA-N
MW440.58 g/mol
LogP6.04
Rot. Bonds6

About 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene

2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene (PubChem CID 43627312) has the molecular formula C14H13Br2ClO2S and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
PubChem CID43627312
Molecular FormulaC14H13Br2ClO2S
Molecular Weight440.58 g/mol
Exact Mass437.87
IUPAC Name2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene
SMILESCCOc1cc(CBr)cc(Br)c1OCc1ccc(Cl)s1
InChIInChI=1S/C14H13Br2ClO2S/c1-2-18-12-6-9(7-15)5-11(16)14(12)19-8-10-3-4-13(17)20-10/h3-6H,2,7-8H2,1H3
InChIKeyHJACOVGDIZCACB-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene 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

1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-[3,5-dibromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741708
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
3-bromo-4-[(5-bromothiophen-2-yl)methoxy]-5-ethoxybenzaldehyde
CID 43627017
1-bromo-5-(bromomethyl)-3-ethoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 43627287
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene?
The IUPAC name of 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene (CID 43627312) is 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene?
The canonical SMILES for 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene is CCOc1cc(CBr)cc(Br)c1OCc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene?
The InChIKey is HJACOVGDIZCACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClO2S/c1-2-18-12-6-9(7-15)5-11(16)14(12)19-8-10-3-4-13(17)20-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene?
2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene has a molecular weight of 440.58 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-chlorothiophene is sourced from PubChem (CID 43627312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).