1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol

C13H14O2S — CID 63814324

IUPAC1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccccc1SCc1ccco1
InChIInChI=1S/C13H14O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,10,14H,9H2,1H3
InChIKeyQWHBCXYIGRWNBT-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol

1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 63814324) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
PubChem CID63814324
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccccc1SCc1ccco1
InChIInChI=1S/C13H14O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,10,14H,9H2,1H3
InChIKeyQWHBCXYIGRWNBT-UHFFFAOYSA-N
XLogP3.63
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814189
1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792411
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate
CID 51886138
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
(1S)-1-[5-(furan-2-ylmethylsulfanyl)-4-nitrothiophen-2-yl]ethanol
CID 103942428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol (CID 63814324) is 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol is CC(O)c1ccccc1SCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is QWHBCXYIGRWNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,10,14H,9H2,1H3.
What are the key properties of 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol?
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 234.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63814324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).