1-(4-methylsulfonylphenyl)-2-phenoxybenzene

C19H16O3S — CID 15871999

IUPAC1-(4-methylsulfonylphenyl)-2-phenoxybenzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c1-23(20,21)17-13-11-15(12-14-17)18-9-5-6-10-19(18)22-16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyXJDZYWZFPDTPBI-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.55
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-2-phenoxybenzene

1-(4-methylsulfonylphenyl)-2-phenoxybenzene (PubChem CID 15871999) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-phenoxybenzene.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-phenoxybenzene
PubChem CID15871999
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name1-(4-methylsulfonylphenyl)-2-phenoxybenzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c1-23(20,21)17-13-11-15(12-14-17)18-9-5-6-10-19(18)22-16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyXJDZYWZFPDTPBI-UHFFFAOYSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenoxybenzene?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenoxybenzene (CID 15871999) is 1-(4-methylsulfonylphenyl)-2-phenoxybenzene.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-phenoxybenzene?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-phenoxybenzene is CS(=O)(=O)c1ccc(-c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-phenoxybenzene?
The InChIKey is XJDZYWZFPDTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-23(20,21)17-13-11-15(12-14-17)18-9-5-6-10-19(18)22-16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-phenoxybenzene?
1-(4-methylsulfonylphenyl)-2-phenoxybenzene has a molecular weight of 324.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-phenoxybenzene is sourced from PubChem (CID 15871999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).