2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene

C16H19ClO3S — CID 43516795

IUPAC2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
SMILESCCc1ccc(COc2c(OC)cc(CCl)cc2OC)s1
InChIInChI=1S/C16H19ClO3S/c1-4-12-5-6-13(21-12)10-20-16-14(18-2)7-11(9-17)8-15(16)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyASQJVHCKYRPOJO-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.65
Rot. Bonds7

About 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene

2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene (PubChem CID 43516795) has the molecular formula C16H19ClO3S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
PubChem CID43516795
Molecular FormulaC16H19ClO3S
Molecular Weight326.85 g/mol
Exact Mass326.07
IUPAC Name2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
SMILESCCc1ccc(COc2c(OC)cc(CCl)cc2OC)s1
InChIInChI=1S/C16H19ClO3S/c1-4-12-5-6-13(21-12)10-20-16-14(18-2)7-11(9-17)8-15(16)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyASQJVHCKYRPOJO-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene 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-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745
5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
CID 106929889
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene?
The IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene (CID 43516795) is 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene?
The canonical SMILES for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene is CCc1ccc(COc2c(OC)cc(CCl)cc2OC)s1.
What is the InChIKey of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene?
The InChIKey is ASQJVHCKYRPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO3S/c1-4-12-5-6-13(21-12)10-20-16-14(18-2)7-11(9-17)8-15(16)19-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene?
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene has a molecular weight of 326.85 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene is sourced from PubChem (CID 43516795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).