[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol

C8H12OS — CID 90299503

IUPAC[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol
SMILESOCC1=CC[C@H](C2CC2)S1
InChIInChI=1S/C8H12OS/c9-5-7-3-4-8(10-7)6-1-2-6/h3,6,8-9H,1-2,4-5H2/t8-/m1/s1
InChIKeyHACIEDKEDUEASL-MRVPVSSYSA-N
MW156.25 g/mol
LogP1.78
Rot. Bonds2

About [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol

[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol (PubChem CID 90299503) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol
PubChem CID90299503
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol
SMILESOCC1=CC[C@H](C2CC2)S1
InChIInChI=1S/C8H12OS/c9-5-7-3-4-8(10-7)6-1-2-6/h3,6,8-9H,1-2,4-5H2/t8-/m1/s1
InChIKeyHACIEDKEDUEASL-MRVPVSSYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol?
The IUPAC name of [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol (CID 90299503) is [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol.
What is the SMILES notation for [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol?
The canonical SMILES for [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol is OCC1=CC[C@H](C2CC2)S1.
What is the InChIKey of [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol?
The InChIKey is HACIEDKEDUEASL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12OS/c9-5-7-3-4-8(10-7)6-1-2-6/h3,6,8-9H,1-2,4-5H2/t8-/m1/s1.
What are the key properties of [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol?
[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol has a molecular weight of 156.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol is sourced from PubChem (CID 90299503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).