2-(2,5-dihydrothiophen-3-yl)phenol

C10H10OS — CID 105437751

IUPAC2-(2,5-dihydrothiophen-3-yl)phenol
SMILESOc1ccccc1C1=CCSC1
InChIInChI=1S/C10H10OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5,11H,6-7H2
InChIKeyBQIKLOCMPUGPGC-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.52
Rot. Bonds1

About 2-(2,5-dihydrothiophen-3-yl)phenol

2-(2,5-dihydrothiophen-3-yl)phenol (PubChem CID 105437751) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(2,5-dihydrothiophen-3-yl)phenol.

Molecular Properties

Compound Name2-(2,5-dihydrothiophen-3-yl)phenol
PubChem CID105437751
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(2,5-dihydrothiophen-3-yl)phenol
SMILESOc1ccccc1C1=CCSC1
InChIInChI=1S/C10H10OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5,11H,6-7H2
InChIKeyBQIKLOCMPUGPGC-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydrothiophen-3-yl)phenol?
The IUPAC name of 2-(2,5-dihydrothiophen-3-yl)phenol (CID 105437751) is 2-(2,5-dihydrothiophen-3-yl)phenol.
What is the SMILES notation for 2-(2,5-dihydrothiophen-3-yl)phenol?
The canonical SMILES for 2-(2,5-dihydrothiophen-3-yl)phenol is Oc1ccccc1C1=CCSC1.
What is the InChIKey of 2-(2,5-dihydrothiophen-3-yl)phenol?
The InChIKey is BQIKLOCMPUGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5,11H,6-7H2.
What are the key properties of 2-(2,5-dihydrothiophen-3-yl)phenol?
2-(2,5-dihydrothiophen-3-yl)phenol has a molecular weight of 178.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrothiophen-3-yl)phenol is sourced from PubChem (CID 105437751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).