(3-methylphenyl)-(4-methylsulfonylphenyl)methanone

C15H14O3S — CID 21262973

IUPAC(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H14O3S/c1-11-4-3-5-13(10-11)15(16)12-6-8-14(9-7-12)19(2,17)18/h3-10H,1-2H3
InChIKeyPWNZBUUPJPPDKG-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.63
Rot. Bonds3

About (3-methylphenyl)-(4-methylsulfonylphenyl)methanone

(3-methylphenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 21262973) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (3-methylphenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID21262973
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H14O3S/c1-11-4-3-5-13(10-11)15(16)12-6-8-14(9-7-12)19(2,17)18/h3-10H,1-2H3
InChIKeyPWNZBUUPJPPDKG-UHFFFAOYSA-N
XLogP2.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(3-methylphenyl) 4-methylsulfonylbenzoate
CID 26097547
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
CID 141016021
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
3-methyl-N-methylsulfonylbenzamide
CID 18331681
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
3-methyl-N-[(4-methylsulfonylphenyl)carbamothioyl]benzamide
CID 89089600
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (3-methylphenyl)-(4-methylsulfonylphenyl)methanone (CID 21262973) is (3-methylphenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (3-methylphenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (3-methylphenyl)-(4-methylsulfonylphenyl)methanone is Cc1cccc(C(=O)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of (3-methylphenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is PWNZBUUPJPPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-11-4-3-5-13(10-11)15(16)12-6-8-14(9-7-12)19(2,17)18/h3-10H,1-2H3.
What are the key properties of (3-methylphenyl)-(4-methylsulfonylphenyl)methanone?
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 274.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 21262973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).