1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol

C16H18O2S — CID 66735686

IUPAC1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccccc1C(C)O
InChIInChI=1S/C16H18O2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12,17-18H,1-2H3
InChIKeyRVKCVSPTCGUBAW-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.94
Rot. Bonds4

About 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol

1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol (PubChem CID 66735686) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol
PubChem CID66735686
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccccc1C(C)O
InChIInChI=1S/C16H18O2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12,17-18H,1-2H3
InChIKeyRVKCVSPTCGUBAW-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol (CID 66735686) is 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol is CC(O)c1ccccc1Sc1ccccc1C(C)O.
What is the InChIKey of 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol?
The InChIKey is RVKCVSPTCGUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12,17-18H,1-2H3.
What are the key properties of 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol?
1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol has a molecular weight of 274.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-hydroxyethyl)phenyl]sulfanylphenyl]ethanol is sourced from PubChem (CID 66735686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).