2-[(3,4-dimethoxyphenyl)methyl]thiophene

C13H14O2S — CID 175110025

IUPAC2-[(3,4-dimethoxyphenyl)methyl]thiophene
SMILESCOc1ccc(Cc2cccs2)cc1OC
InChIInChI=1S/C13H14O2S/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3
InChIKeyQRAOGOSNGKLMRS-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.36
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]thiophene

2-[(3,4-dimethoxyphenyl)methyl]thiophene (PubChem CID 175110025) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]thiophene
PubChem CID175110025
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]thiophene
SMILESCOc1ccc(Cc2cccs2)cc1OC
InChIInChI=1S/C13H14O2S/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3
InChIKeyQRAOGOSNGKLMRS-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 61097509
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780214
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 63774071
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]thiophene?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]thiophene (CID 175110025) is 2-[(3,4-dimethoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]thiophene is COc1ccc(Cc2cccs2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]thiophene?
The InChIKey is QRAOGOSNGKLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]thiophene?
2-[(3,4-dimethoxyphenyl)methyl]thiophene has a molecular weight of 234.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]thiophene is sourced from PubChem (CID 175110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).