1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol

C22H26FNO5S — CID 151967820

IUPAC1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol
SMILESCCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1-c1ccc(F)cc1C(C)O
InChIInChI=1S/C22H26FNO5S/c1-5-6-16-12-18-20(9-10-21(30(4,26)27)22(18)29-13-28-3)24(16)19-8-7-15(23)11-17(19)14(2)25/h7-12,14,25H,5-6,13H2,1-4H3
InChIKeyUAAPGEMAFXODFC-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.16
Rot. Bonds8

About 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol

1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol (PubChem CID 151967820) has the molecular formula C22H26FNO5S and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol
PubChem CID151967820
Molecular FormulaC22H26FNO5S
Molecular Weight435.52 g/mol
Exact Mass435.15
IUPAC Name1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol
SMILESCCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1-c1ccc(F)cc1C(C)O
InChIInChI=1S/C22H26FNO5S/c1-5-6-16-12-18-20(9-10-21(30(4,26)27)22(18)29-13-28-3)24(16)19-8-7-15(23)11-17(19)14(2)25/h7-12,14,25H,5-6,13H2,1-4H3
InChIKeyUAAPGEMAFXODFC-UHFFFAOYSA-N
XLogP4.16
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol (CID 151967820) is 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol is CCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1-c1ccc(F)cc1C(C)O.
What is the InChIKey of 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol?
The InChIKey is UAAPGEMAFXODFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5S/c1-5-6-16-12-18-20(9-10-21(30(4,26)27)22(18)29-13-28-3)24(16)19-8-7-15(23)11-17(19)14(2)25/h7-12,14,25H,5-6,13H2,1-4H3.
What are the key properties of 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol?
1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol has a molecular weight of 435.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]phenyl]ethanol is sourced from PubChem (CID 151967820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).