1-cyclopenta[c]thiopyran-5-ylethanol

C10H10OS — CID 174498118

IUPAC1-cyclopenta[c]thiopyran-5-ylethanol
SMILESCC(O)c1ccc2csccc1-2
InChIInChI=1S/C10H10OS/c1-7(11)9-3-2-8-6-12-5-4-10(8)9/h2-7,11H,1H3
InChIKeyABCCRKBTPHAMME-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.91
Rot. Bonds1

About 1-cyclopenta[c]thiopyran-5-ylethanol

1-cyclopenta[c]thiopyran-5-ylethanol (PubChem CID 174498118) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-cyclopenta[c]thiopyran-5-ylethanol.

Molecular Properties

Compound Name1-cyclopenta[c]thiopyran-5-ylethanol
PubChem CID174498118
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name1-cyclopenta[c]thiopyran-5-ylethanol
SMILESCC(O)c1ccc2csccc1-2
InChIInChI=1S/C10H10OS/c1-7(11)9-3-2-8-6-12-5-4-10(8)9/h2-7,11H,1H3
InChIKeyABCCRKBTPHAMME-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta[c]thiopyran-5-ylethanol?
The IUPAC name of 1-cyclopenta[c]thiopyran-5-ylethanol (CID 174498118) is 1-cyclopenta[c]thiopyran-5-ylethanol.
What is the SMILES notation for 1-cyclopenta[c]thiopyran-5-ylethanol?
The canonical SMILES for 1-cyclopenta[c]thiopyran-5-ylethanol is CC(O)c1ccc2csccc1-2.
What is the InChIKey of 1-cyclopenta[c]thiopyran-5-ylethanol?
The InChIKey is ABCCRKBTPHAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-7(11)9-3-2-8-6-12-5-4-10(8)9/h2-7,11H,1H3.
What are the key properties of 1-cyclopenta[c]thiopyran-5-ylethanol?
1-cyclopenta[c]thiopyran-5-ylethanol has a molecular weight of 178.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta[c]thiopyran-5-ylethanol is sourced from PubChem (CID 174498118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).