1-methoxy-4-(3-phenylpropylsulfonyl)benzene

C16H18O3S — CID 54270820

IUPAC1-methoxy-4-(3-phenylpropylsulfonyl)benzene
SMILESCOc1ccc(S(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-19-15-9-11-16(12-10-15)20(17,18)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyRJZLAGQBPFFCHR-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.10
Rot. Bonds6

About 1-methoxy-4-(3-phenylpropylsulfonyl)benzene

1-methoxy-4-(3-phenylpropylsulfonyl)benzene (PubChem CID 54270820) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-methoxy-4-(3-phenylpropylsulfonyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-phenylpropylsulfonyl)benzene
PubChem CID54270820
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-methoxy-4-(3-phenylpropylsulfonyl)benzene
SMILESCOc1ccc(S(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-19-15-9-11-16(12-10-15)20(17,18)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyRJZLAGQBPFFCHR-UHFFFAOYSA-N
XLogP3.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3050838
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CID 15647797
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
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CID 176890412
1-[5-(benzenesulfonyl)pentyl]-4-phenylmethoxybenzene;ethane
CID 155721797
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid
CID 18790103
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-phenylpropylsulfonyl)benzene?
The IUPAC name of 1-methoxy-4-(3-phenylpropylsulfonyl)benzene (CID 54270820) is 1-methoxy-4-(3-phenylpropylsulfonyl)benzene.
What is the SMILES notation for 1-methoxy-4-(3-phenylpropylsulfonyl)benzene?
The canonical SMILES for 1-methoxy-4-(3-phenylpropylsulfonyl)benzene is COc1ccc(S(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(3-phenylpropylsulfonyl)benzene?
The InChIKey is RJZLAGQBPFFCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-19-15-9-11-16(12-10-15)20(17,18)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of 1-methoxy-4-(3-phenylpropylsulfonyl)benzene?
1-methoxy-4-(3-phenylpropylsulfonyl)benzene has a molecular weight of 290.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-phenylpropylsulfonyl)benzene is sourced from PubChem (CID 54270820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).