2-[(2-phenoxyphenyl)methylsulfonyl]ethanol

C15H16O4S — CID 71972665

IUPAC2-[(2-phenoxyphenyl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H16O4S/c16-10-11-20(17,18)12-13-6-4-5-9-15(13)19-14-7-2-1-3-8-14/h1-9,16H,10-12H2
InChIKeyNGYGEAUKYUNFJV-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds6

About 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol

2-[(2-phenoxyphenyl)methylsulfonyl]ethanol (PubChem CID 71972665) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[(2-phenoxyphenyl)methylsulfonyl]ethanol
PubChem CID71972665
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name2-[(2-phenoxyphenyl)methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H16O4S/c16-10-11-20(17,18)12-13-6-4-5-9-15(13)19-14-7-2-1-3-8-14/h1-9,16H,10-12H2
InChIKeyNGYGEAUKYUNFJV-UHFFFAOYSA-N
XLogP2.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol?
The IUPAC name of 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol (CID 71972665) is 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol.
What is the SMILES notation for 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol?
The canonical SMILES for 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol?
The InChIKey is NGYGEAUKYUNFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c16-10-11-20(17,18)12-13-6-4-5-9-15(13)19-14-7-2-1-3-8-14/h1-9,16H,10-12H2.
What are the key properties of 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol?
2-[(2-phenoxyphenyl)methylsulfonyl]ethanol has a molecular weight of 292.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyphenyl)methylsulfonyl]ethanol is sourced from PubChem (CID 71972665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).