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

C22H26FNO5S — CID 139789144

IUPAC[5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol
SMILESCCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO
InChIInChI=1S/C22H26FNO5S/c1-4-5-18-11-19-20(8-9-21(30(3,26)27)22(19)29-14-28-2)24(18)12-15-6-7-17(23)10-16(15)13-25/h6-11,25H,4-5,12-14H2,1-3H3
InChIKeyQYEHBGYJGBNMMF-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.66
Rot. Bonds9

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

[5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol (PubChem CID 139789144) has the molecular formula C22H26FNO5S and a molecular weight of 435.52 g/mol. Its IUPAC name is [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol
PubChem CID139789144
Molecular FormulaC22H26FNO5S
Molecular Weight435.52 g/mol
Exact Mass435.15
IUPAC Name[5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol
SMILESCCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO
InChIInChI=1S/C22H26FNO5S/c1-4-5-18-11-19-20(8-9-21(30(3,26)27)22(19)29-14-28-2)24(18)12-15-6-7-17(23)10-16(15)13-25/h6-11,25H,4-5,12-14H2,1-3H3
InChIKeyQYEHBGYJGBNMMF-UHFFFAOYSA-N
XLogP3.66
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.66
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 [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol (CID 139789144) is [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol is CCCc1cc2c(OCOC)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol?
The InChIKey is QYEHBGYJGBNMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5S/c1-4-5-18-11-19-20(8-9-21(30(3,26)27)22(19)29-14-28-2)24(18)12-15-6-7-17(23)10-16(15)13-25/h6-11,25H,4-5,12-14H2,1-3H3.
What are the key properties of [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol?
[5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol has a molecular weight of 435.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[4-(methoxymethoxy)-5-methylsulfonyl-2-propylindol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 139789144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).