2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene

C15H17ClO2S — CID 81123904

IUPAC2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
SMILESCOCCc1ccc(C(Cl)c2sccc2OC)cc1
InChIInChI=1S/C15H17ClO2S/c1-17-9-7-11-3-5-12(6-4-11)14(16)15-13(18-2)8-10-19-15/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyFWNNNRWUPPBVNH-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.27
Rot. Bonds6

About 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene (PubChem CID 81123904) has the molecular formula C15H17ClO2S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene.

Molecular Properties

Compound Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
PubChem CID81123904
Molecular FormulaC15H17ClO2S
Molecular Weight296.82 g/mol
Exact Mass296.06
IUPAC Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
SMILESCOCCc1ccc(C(Cl)c2sccc2OC)cc1
InChIInChI=1S/C15H17ClO2S/c1-17-9-7-11-3-5-12(6-4-11)14(16)15-13(18-2)8-10-19-15/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyFWNNNRWUPPBVNH-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.27
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

1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methoxythiophene
CID 81123179
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 62504750
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 81124104
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
CID 61085120
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
CID 63429785
[4-(2-methoxyethyl)phenyl]-thiophen-2-ylmethanol
CID 55133973
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
CID 61083920
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80746017
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene?
The IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene (CID 81123904) is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene.
What is the SMILES notation for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene?
The canonical SMILES for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene is COCCc1ccc(C(Cl)c2sccc2OC)cc1.
What is the InChIKey of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene?
The InChIKey is FWNNNRWUPPBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2S/c1-17-9-7-11-3-5-12(6-4-11)14(16)15-13(18-2)8-10-19-15/h3-6,8,10,14H,7,9H2,1-2H3.
What are the key properties of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene?
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene has a molecular weight of 296.82 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene is sourced from PubChem (CID 81123904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).