1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol

C15H18O3S — CID 65150953

IUPAC1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCOc1cccc(C(O)CCc2cccs2)c1OC
InChIInChI=1S/C15H18O3S/c1-17-14-7-3-6-12(15(14)18-2)13(16)9-8-11-5-4-10-19-11/h3-7,10,13,16H,8-9H2,1-2H3
InChIKeyKQDCIMCTVPTUPE-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.43
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol

1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 65150953) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID65150953
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
SMILESCOc1cccc(C(O)CCc2cccs2)c1OC
InChIInChI=1S/C15H18O3S/c1-17-14-7-3-6-12(15(14)18-2)13(16)9-8-11-5-4-10-19-11/h3-7,10,13,16H,8-9H2,1-2H3
InChIKeyKQDCIMCTVPTUPE-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 103435667
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol (CID 65150953) is 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol is COc1cccc(C(O)CCc2cccs2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is KQDCIMCTVPTUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-17-14-7-3-6-12(15(14)18-2)13(16)9-8-11-5-4-10-19-11/h3-7,10,13,16H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol?
1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 278.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).