1-methoxy-3-(4-propylphenyl)sulfonylbenzene

C16H18O3S — CID 178027027

IUPAC1-methoxy-3-(4-propylphenyl)sulfonylbenzene
SMILESCCCc1ccc(S(=O)(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18O3S/c1-3-5-13-8-10-15(11-9-13)20(17,18)16-7-4-6-14(12-16)19-2/h4,6-12H,3,5H2,1-2H3
InChIKeyNXJBEUQAEXBFAE-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.48
Rot. Bonds5

About 1-methoxy-3-(4-propylphenyl)sulfonylbenzene

1-methoxy-3-(4-propylphenyl)sulfonylbenzene (PubChem CID 178027027) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-methoxy-3-(4-propylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methoxy-3-(4-propylphenyl)sulfonylbenzene
PubChem CID178027027
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-methoxy-3-(4-propylphenyl)sulfonylbenzene
SMILESCCCc1ccc(S(=O)(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18O3S/c1-3-5-13-8-10-15(11-9-13)20(17,18)16-7-4-6-14(12-16)19-2/h4,6-12H,3,5H2,1-2H3
InChIKeyNXJBEUQAEXBFAE-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-propylbenzene
CID 14270128
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 174546129
ethane;1-ethyl-3-methoxybenzene;propylbenzene
CID 142554792
3-methoxybenzenesulfonamide
CID 14763060
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
ethane;1-methoxy-4-propylbenzene
CID 142085762
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-propylphenyl)sulfonylbenzene?
The IUPAC name of 1-methoxy-3-(4-propylphenyl)sulfonylbenzene (CID 178027027) is 1-methoxy-3-(4-propylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methoxy-3-(4-propylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methoxy-3-(4-propylphenyl)sulfonylbenzene is CCCc1ccc(S(=O)(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 1-methoxy-3-(4-propylphenyl)sulfonylbenzene?
The InChIKey is NXJBEUQAEXBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-5-13-8-10-15(11-9-13)20(17,18)16-7-4-6-14(12-16)19-2/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-propylphenyl)sulfonylbenzene?
1-methoxy-3-(4-propylphenyl)sulfonylbenzene has a molecular weight of 290.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-propylphenyl)sulfonylbenzene is sourced from PubChem (CID 178027027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).