1-(4-fluorophenyl)sulfinyl-4-methoxybenzene

C13H11FO2S — CID 21200904

IUPAC1-(4-fluorophenyl)sulfinyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO2S/c1-16-11-4-8-13(9-5-11)17(15)12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyFSWBSTWXQWIDOE-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene

1-(4-fluorophenyl)sulfinyl-4-methoxybenzene (PubChem CID 21200904) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-4-methoxybenzene
PubChem CID21200904
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name1-(4-fluorophenyl)sulfinyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO2S/c1-16-11-4-8-13(9-5-11)17(15)12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyFSWBSTWXQWIDOE-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SB-3CT
CID 9883002
4-(4-Allyloxy-benzenesulfonyl)-phenol
CID 2054598
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
1-Methoxy-4-(methylthio)benzene
CID 15885
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
CID 15516781
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol
CID 19366816
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
CID 19366844
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
CID 19366856

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene (CID 21200904) is 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene is COc1ccc(S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene?
The InChIKey is FSWBSTWXQWIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-16-11-4-8-13(9-5-11)17(15)12-6-2-10(14)3-7-12/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene?
1-(4-fluorophenyl)sulfinyl-4-methoxybenzene has a molecular weight of 250.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-4-methoxybenzene is sourced from PubChem (CID 21200904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).