1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol

C16H20O2S — CID 103465604

IUPAC1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCc1ccc(CC(O)(COC)c2ccccc2)s1
InChIInChI=1S/C16H20O2S/c1-3-14-9-10-15(19-14)11-16(17,12-18-2)13-7-5-4-6-8-13/h4-10,17H,3,11-12H2,1-2H3
InChIKeyMLQPHVBFGJHIPM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.39
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol

1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465604) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465604
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCc1ccc(CC(O)(COC)c2ccccc2)s1
InChIInChI=1S/C16H20O2S/c1-3-14-9-10-15(19-14)11-16(17,12-18-2)13-7-5-4-6-8-13/h4-10,17H,3,11-12H2,1-2H3
InChIKeyMLQPHVBFGJHIPM-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(5-ethylthiophen-2-yl)-2-phenylbutan-2-ol
CID 116696332
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-methoxy-2-phenylheptan-2-ol
CID 103465294
(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol
CID 10694148
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465724
2,5-diethylthiophene
CID 521294
1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465196
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol (CID 103465604) is 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol is CCc1ccc(CC(O)(COC)c2ccccc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is MLQPHVBFGJHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-3-14-9-10-15(19-14)11-16(17,12-18-2)13-7-5-4-6-8-13/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol?
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 276.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).