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

C14H15ClO2S — CID 28535748

IUPAC2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
SMILESCCOc1cc(CCl)ccc1OCc1cccs1
InChIInChI=1S/C14H15ClO2S/c1-2-16-14-8-11(9-15)5-6-13(14)17-10-12-4-3-7-18-12/h3-8H,2,9-10H2,1H3
InChIKeyFUSHISPTLNTYNS-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.46
Rot. Bonds6

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

2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene (PubChem CID 28535748) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
PubChem CID28535748
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
SMILESCCOc1cc(CCl)ccc1OCc1cccs1
InChIInChI=1S/C14H15ClO2S/c1-2-16-14-8-11(9-15)5-6-13(14)17-10-12-4-3-7-18-12/h3-8H,2,9-10H2,1H3
InChIKeyFUSHISPTLNTYNS-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 63535667
cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621395
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
CID 4715972
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The IUPAC name of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene (CID 28535748) is 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene.
What is the SMILES notation for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The canonical SMILES for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene is CCOc1cc(CCl)ccc1OCc1cccs1.
What is the InChIKey of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
The InChIKey is FUSHISPTLNTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-2-16-14-8-11(9-15)5-6-13(14)17-10-12-4-3-7-18-12/h3-8H,2,9-10H2,1H3.
What are the key properties of 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene?
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene has a molecular weight of 282.79 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene is sourced from PubChem (CID 28535748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).