1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone

C22H20O4S — CID 1300495

IUPAC1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H20O4S/c1-17(23)21-9-5-6-10-22(21)26-15-18-11-13-20(14-12-18)27(24,25)16-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyCSLGWPIGSRSRSY-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.44
Rot. Bonds7

About 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone

1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone (PubChem CID 1300495) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone
PubChem CID1300495
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Name1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H20O4S/c1-17(23)21-9-5-6-10-22(21)26-15-18-11-13-20(14-12-18)27(24,25)16-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyCSLGWPIGSRSRSY-UHFFFAOYSA-N
XLogP4.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone (CID 1300495) is 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone?
The InChIKey is CSLGWPIGSRSRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4S/c1-17(23)21-9-5-6-10-22(21)26-15-18-11-13-20(14-12-18)27(24,25)16-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3.
What are the key properties of 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone?
1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone has a molecular weight of 380.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-benzylsulfonylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 1300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).