6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol

C18H26FNO3 — CID 58951143

IUPAC6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCN1CCOCC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO3/c1-17(2)12-13-4-5-14(19)16(22-3)15(13)18(17,21)6-7-20-8-10-23-11-9-20/h4-5,21H,6-12H2,1-3H3
InChIKeyJVZHXKTYGZINIA-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.33
Rot. Bonds4

About 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol

6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol (PubChem CID 58951143) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol
PubChem CID58951143
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CCN1CCOCC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO3/c1-17(2)12-13-4-5-14(19)16(22-3)15(13)18(17,21)6-7-20-8-10-23-11-9-20/h4-5,21H,6-12H2,1-3H3
InChIKeyJVZHXKTYGZINIA-UHFFFAOYSA-N
XLogP2.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol with MolForge

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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
4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11566246
6-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11587599
7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile
CID 11588010
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
4-(7-Fluoro-2,2-dimethyl-9,12-dioxatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-1-yl)-1-methylpiperidine
CID 11716726
3-(4-Fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol
CID 54075338
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(5-fluoro-2-methoxyphenyl)piperidin-4-ol
CID 58772224

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol?
The IUPAC name of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol (CID 58951143) is 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol.
What is the SMILES notation for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol?
The canonical SMILES for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol is COc1c(F)ccc2c1C(O)(CCN1CCOCC1)C(C)(C)C2.
What is the InChIKey of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol?
The InChIKey is JVZHXKTYGZINIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-17(2)12-13-4-5-14(19)16(22-3)15(13)18(17,21)6-7-20-8-10-23-11-9-20/h4-5,21H,6-12H2,1-3H3.
What are the key properties of 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol?
6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol has a molecular weight of 323.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-2,2-dimethyl-1-(2-morpholin-4-ylethyl)-3H-inden-1-ol is sourced from PubChem (CID 58951143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).