1-[4-(benzenesulfinyl)phenyl]ethanone

C14H12O2S — CID 1487167

IUPAC1-[4-(benzenesulfinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2S/c1-11(15)12-7-9-14(10-8-12)17(16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyCROHGGUWSDCQOC-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.06
Rot. Bonds3

About 1-[4-(benzenesulfinyl)phenyl]ethanone

1-[4-(benzenesulfinyl)phenyl]ethanone (PubChem CID 1487167) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-[4-(benzenesulfinyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfinyl)phenyl]ethanone
PubChem CID1487167
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name1-[4-(benzenesulfinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2S/c1-11(15)12-7-9-14(10-8-12)17(16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyCROHGGUWSDCQOC-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfinyl)phenyl]ethanone?
The IUPAC name of 1-[4-(benzenesulfinyl)phenyl]ethanone (CID 1487167) is 1-[4-(benzenesulfinyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(benzenesulfinyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(benzenesulfinyl)phenyl]ethanone is CC(=O)c1ccc(S(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfinyl)phenyl]ethanone?
The InChIKey is CROHGGUWSDCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-11(15)12-7-9-14(10-8-12)17(16)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1-[4-(benzenesulfinyl)phenyl]ethanone?
1-[4-(benzenesulfinyl)phenyl]ethanone has a molecular weight of 244.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfinyl)phenyl]ethanone is sourced from PubChem (CID 1487167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).