6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol

C18H26FNO2 — CID 58950949

IUPAC6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCN1CCCC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)12-13-6-7-14(19)16(22-3)15(13)18(17,21)8-11-20-9-4-5-10-20/h6-7,21H,4-5,8-12H2,1-3H3
InChIKeyFOWZGNKPHBHWBT-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.09
Rot. Bonds4

About 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol

6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol (PubChem CID 58950949) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol
PubChem CID58950949
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCN1CCCC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)12-13-6-7-14(19)16(22-3)15(13)18(17,21)8-11-20-9-4-5-10-20/h6-7,21H,4-5,8-12H2,1-3H3
InChIKeyFOWZGNKPHBHWBT-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11508115
7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11537074
6-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11587599
4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11630917
4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11659535
5-fluoro-7,7-dimethyl-8-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-cyclopenta[g][1]benzofuran-8-ol
CID 11681284
1-[(5-fluoro-4-methoxy-2,2-dimethylspiro[1H-indene-3,5'-oxolane]-2'-yl)methyl]pyrrolidine
CID 11702736
1-[4-Fluoro-4-(1-hydroxy-7-methoxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)cyclohexa-2,5-dien-1-yl]butan-1-one
CID 21538666
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-(5-fluoro-2-methoxyphenyl)piperidin-4-ol
CID 58772129
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(5-fluoro-2-methoxyphenyl)piperidin-4-ol
CID 58772224
1-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(5-fluoro-2-methoxyphenyl)piperidin-4-ol
CID 58772319
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(5-fluoro-2-methoxyphenyl)piperidin-4-ol
CID 58772337

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol?
The IUPAC name of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol (CID 58950949) is 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol.
What is the SMILES notation for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol?
The canonical SMILES for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol is COc1c(F)ccc2c1C(O)(CCN1CCCC1)C(C)(C)C2.
What is the InChIKey of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol?
The InChIKey is FOWZGNKPHBHWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-17(2)12-13-6-7-14(19)16(22-3)15(13)18(17,21)8-11-20-9-4-5-10-20/h6-7,21H,4-5,8-12H2,1-3H3.
What are the key properties of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol?
6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol has a molecular weight of 307.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-inden-1-ol is sourced from PubChem (CID 58950949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).