1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone

C16H16O2S — CID 51889923

IUPAC1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
SMILESCOc1cccc(C(=O)CSc2ccccc2C)c1
InChIInChI=1S/C16H16O2S/c1-12-6-3-4-9-16(12)19-11-15(17)13-7-5-8-14(10-13)18-2/h3-10H,11H2,1-2H3
InChIKeyAPFWSSKODPCKFF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.98
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone

1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone (PubChem CID 51889923) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
PubChem CID51889923
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
SMILESCOc1cccc(C(=O)CSc2ccccc2C)c1
InChIInChI=1S/C16H16O2S/c1-12-6-3-4-9-16(12)19-11-15(17)13-7-5-8-14(10-13)18-2/h3-10H,11H2,1-2H3
InChIKeyAPFWSSKODPCKFF-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093415
1-(3-methoxyphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 41424645
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520257
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 43425714
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one
CID 41449301
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylethanone
CID 61230240

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone (CID 51889923) is 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone is COc1cccc(C(=O)CSc2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The InChIKey is APFWSSKODPCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-12-6-3-4-9-16(12)19-11-15(17)13-7-5-8-14(10-13)18-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone has a molecular weight of 272.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone is sourced from PubChem (CID 51889923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).