1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one

C17H18O4S — CID 15732520

IUPAC1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCOc1cccc(C(=O)C(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18O4S/c1-12-7-9-16(10-8-12)22(19,20)13(2)17(18)14-5-4-6-15(11-14)21-3/h4-11,13H,1-3H3
InChIKeyPBNZJPALRGMMJY-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.05
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one

1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 15732520) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID15732520
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCOc1cccc(C(=O)C(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18O4S/c1-12-7-9-16(10-8-12)22(19,20)13(2)17(18)14-5-4-6-15(11-14)21-3/h4-11,13H,1-3H3
InChIKeyPBNZJPALRGMMJY-UHFFFAOYSA-N
XLogP3.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
N-bis[2-(4-methylphenyl)sulfonylhydrazinyl]phosphoryl-3-methoxybenzamide
CID 21238898
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 170922892
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
[4-[4-(3-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 3-methoxybenzoate
CID 988900
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986022
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one (CID 15732520) is 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one is COc1cccc(C(=O)C(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is PBNZJPALRGMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4S/c1-12-7-9-16(10-8-12)22(19,20)13(2)17(18)14-5-4-6-15(11-14)21-3/h4-11,13H,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one?
1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 318.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 15732520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).