(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol

C8H14OS — CID 67489260

IUPAC(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
SMILESCC1=CCC(C[C@@H](C)O)S1
InChIInChI=1S/C8H14OS/c1-6(9)5-8-4-3-7(2)10-8/h3,6,8-9H,4-5H2,1-2H3/t6-,8?/m1/s1
InChIKeyYFNQMSCLLMBYNV-XPJFZRNWSA-N
MW158.27 g/mol
LogP2.17
Rot. Bonds2

About (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol

(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol (PubChem CID 67489260) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
PubChem CID67489260
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
SMILESCC1=CCC(C[C@@H](C)O)S1
InChIInChI=1S/C8H14OS/c1-6(9)5-8-4-3-7(2)10-8/h3,6,8-9H,4-5H2,1-2H3/t6-,8?/m1/s1
InChIKeyYFNQMSCLLMBYNV-XPJFZRNWSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol (CID 67489260) is (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol is CC1=CCC(C[C@@H](C)O)S1.
What is the InChIKey of (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The InChIKey is YFNQMSCLLMBYNV-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H14OS/c1-6(9)5-8-4-3-7(2)10-8/h3,6,8-9H,4-5H2,1-2H3/t6-,8?/m1/s1.
What are the key properties of (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol has a molecular weight of 158.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 67489260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).