1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene

C20H22O3S — CID 174400263

IUPAC1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
SMILESCOc1ccc(CC2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C20H22O3S/c1-23-18-10-6-15(7-11-18)14-17-4-3-5-20(17)16-8-12-19(13-9-16)24(2,21)22/h6-13H,3-5,14H2,1-2H3
InChIKeyQUZKKRCZSPZMKP-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.28
Rot. Bonds5

About 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene

1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene (PubChem CID 174400263) has the molecular formula C20H22O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
PubChem CID174400263
Molecular FormulaC20H22O3S
Molecular Weight342.46 g/mol
Exact Mass342.13
IUPAC Name1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
SMILESCOc1ccc(CC2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C20H22O3S/c1-23-18-10-6-15(7-11-18)14-17-4-3-5-20(17)16-8-12-19(13-9-16)24(2,21)22/h6-13H,3-5,14H2,1-2H3
InChIKeyQUZKKRCZSPZMKP-UHFFFAOYSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917666
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917367
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
1,2-dimethyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917478
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
5-[4-(methoxymethyl)phenyl]-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 18933947
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917379

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene (CID 174400263) is 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene is COc1ccc(CC2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1.
What is the InChIKey of 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene?
The InChIKey is QUZKKRCZSPZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S/c1-23-18-10-6-15(7-11-18)14-17-4-3-5-20(17)16-8-12-19(13-9-16)24(2,21)22/h6-13H,3-5,14H2,1-2H3.
What are the key properties of 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene?
1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene has a molecular weight of 342.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene is sourced from PubChem (CID 174400263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).