2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene

C20H17FO2S — CID 135027066

IUPAC2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene
SMILESCOc1cccc([S@@](=O)c2ccc(C)cc2)c1-c1ccccc1F
InChIInChI=1S/C20H17FO2S/c1-14-10-12-15(13-11-14)24(22)19-9-5-8-18(23-2)20(19)16-6-3-4-7-17(16)21/h3-13H,1-2H3/t24-/m0/s1
InChIKeyQBHOQEMAUAGSQQ-DEOSSOPVSA-N
MW340.42 g/mol
LogP4.98
Rot. Bonds4

About 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene

2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene (PubChem CID 135027066) has the molecular formula C20H17FO2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene
PubChem CID135027066
Molecular FormulaC20H17FO2S
Molecular Weight340.42 g/mol
Exact Mass340.09
IUPAC Name2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene
SMILESCOc1cccc([S@@](=O)c2ccc(C)cc2)c1-c1ccccc1F
InChIInChI=1S/C20H17FO2S/c1-14-10-12-15(13-11-14)24(22)19-9-5-8-18(23-2)20(19)16-6-3-4-7-17(16)21/h3-13H,1-2H3/t24-/m0/s1
InChIKeyQBHOQEMAUAGSQQ-DEOSSOPVSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene?
The IUPAC name of 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene (CID 135027066) is 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene.
What is the SMILES notation for 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene?
The canonical SMILES for 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene is COc1cccc([S@@](=O)c2ccc(C)cc2)c1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene?
The InChIKey is QBHOQEMAUAGSQQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C20H17FO2S/c1-14-10-12-15(13-11-14)24(22)19-9-5-8-18(23-2)20(19)16-6-3-4-7-17(16)21/h3-13H,1-2H3/t24-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene?
2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene has a molecular weight of 340.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-methoxy-3-[(S)-(4-methylphenyl)sulfinyl]benzene is sourced from PubChem (CID 135027066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).