1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol

C16H18OS — CID 115798373

IUPAC1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CC1c1ccccc1
InChIInChI=1S/C16H18OS/c17-16(7-6-12-8-9-18-11-12)15-10-14(15)13-4-2-1-3-5-13/h1-5,8-9,11,14-17H,6-7,10H2
InChIKeyIVCPEFWMMRTQPL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol

1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 115798373) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID115798373
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CC1c1ccccc1
InChIInChI=1S/C16H18OS/c17-16(7-6-12-8-9-18-11-12)15-10-14(15)13-4-2-1-3-5-13/h1-5,8-9,11,14-17H,6-7,10H2
InChIKeyIVCPEFWMMRTQPL-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(3-ethyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 113299434
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
2-methyl-1-(2-phenylcyclopropyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940648
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097836

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol (CID 115798373) is 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is IVCPEFWMMRTQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c17-16(7-6-12-8-9-18-11-12)15-10-14(15)13-4-2-1-3-5-13/h1-5,8-9,11,14-17H,6-7,10H2.
What are the key properties of 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol?
1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 115798373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).