1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol

C15H18O3S — CID 65148145

IUPAC1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1cc(OC)cc(C(O)CCc2ccsc2)c1
InChIInChI=1S/C15H18O3S/c1-17-13-7-12(8-14(9-13)18-2)15(16)4-3-11-5-6-19-10-11/h5-10,15-16H,3-4H2,1-2H3
InChIKeyDJFNHNRPVXXHHA-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.43
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol

1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 65148145) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID65148145
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1cc(OC)cc(C(O)CCc2ccsc2)c1
InChIInChI=1S/C15H18O3S/c1-17-13-7-12(8-14(9-13)18-2)15(16)4-3-11-5-6-19-10-11/h5-10,15-16H,3-4H2,1-2H3
InChIKeyDJFNHNRPVXXHHA-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-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
CID 65151106
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 115351116
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
[1-(4-methoxythiophen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306899
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol (CID 65148145) is 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol is COc1cc(OC)cc(C(O)CCc2ccsc2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is DJFNHNRPVXXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-17-13-7-12(8-14(9-13)18-2)15(16)4-3-11-5-6-19-10-11/h5-10,15-16H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol?
1-(3,5-dimethoxyphenyl)-3-thiophen-3-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-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).