(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone

C16H16O2S — CID 79214841

IUPAC(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C16H16O2S/c1-11-10-13(6-9-15(11)18-2)16(17)12-4-7-14(19-3)8-5-12/h4-10H,1-3H3
InChIKeyMODIIJBREKXAIO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.96
Rot. Bonds4

About (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone

(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 79214841) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID79214841
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C16H16O2S/c1-11-10-13(6-9-15(11)18-2)16(17)12-4-7-14(19-3)8-5-12/h4-10H,1-3H3
InChIKeyMODIIJBREKXAIO-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone
CID 168803174
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone (CID 79214841) is (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone is COc1ccc(C(=O)c2ccc(SC)cc2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is MODIIJBREKXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-11-10-13(6-9-15(11)18-2)16(17)12-4-7-14(19-3)8-5-12/h4-10H,1-3H3.
What are the key properties of (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone?
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79214841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).