1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol

C14H16O3S — CID 55136258

IUPAC1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
SMILESCOc1ccc(C(O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H16O3S/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h3-8,12,15H,9H2,1-2H3
InChIKeyWUVWMHAMDOZCOS-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.04
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol

1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol (PubChem CID 55136258) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
PubChem CID55136258
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
SMILESCOc1ccc(C(O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H16O3S/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h3-8,12,15H,9H2,1-2H3
InChIKeyWUVWMHAMDOZCOS-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 90613580
1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 65146026
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
1-[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 63774373
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111757302
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol (CID 55136258) is 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol is COc1ccc(C(O)Cc2cccs2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol?
The InChIKey is WUVWMHAMDOZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h3-8,12,15H,9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol?
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol has a molecular weight of 264.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 55136258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).