2,3-dihydrothiophen-5-yl(phenyl)methanol

C11H12OS — CID 89266439

IUPAC2,3-dihydrothiophen-5-yl(phenyl)methanol
SMILESOC(C1=CCCS1)c1ccccc1
InChIInChI=1S/C11H12OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-7,11-12H,4,8H2
InChIKeyIMWHBJXALZTNLH-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.74
Rot. Bonds2

About 2,3-dihydrothiophen-5-yl(phenyl)methanol

2,3-dihydrothiophen-5-yl(phenyl)methanol (PubChem CID 89266439) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2,3-dihydrothiophen-5-yl(phenyl)methanol.

Molecular Properties

Compound Name2,3-dihydrothiophen-5-yl(phenyl)methanol
PubChem CID89266439
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2,3-dihydrothiophen-5-yl(phenyl)methanol
SMILESOC(C1=CCCS1)c1ccccc1
InChIInChI=1S/C11H12OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-7,11-12H,4,8H2
InChIKeyIMWHBJXALZTNLH-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-5-yl(phenyl)methanol?
The IUPAC name of 2,3-dihydrothiophen-5-yl(phenyl)methanol (CID 89266439) is 2,3-dihydrothiophen-5-yl(phenyl)methanol.
What is the SMILES notation for 2,3-dihydrothiophen-5-yl(phenyl)methanol?
The canonical SMILES for 2,3-dihydrothiophen-5-yl(phenyl)methanol is OC(C1=CCCS1)c1ccccc1.
What is the InChIKey of 2,3-dihydrothiophen-5-yl(phenyl)methanol?
The InChIKey is IMWHBJXALZTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-7,11-12H,4,8H2.
What are the key properties of 2,3-dihydrothiophen-5-yl(phenyl)methanol?
2,3-dihydrothiophen-5-yl(phenyl)methanol has a molecular weight of 192.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-5-yl(phenyl)methanol is sourced from PubChem (CID 89266439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).