4-fluoro-1-(3-methoxycyclohexyl)indole

C15H18FNO — CID 113342463

IUPAC4-fluoro-1-(3-methoxycyclohexyl)indole
SMILESCOC1CCCC(n2ccc3c(F)cccc32)C1
InChIInChI=1S/C15H18FNO/c1-18-12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3
InChIKeyMYGJFOKPWYUIKK-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.91
Rot. Bonds2

About 4-fluoro-1-(3-methoxycyclohexyl)indole

4-fluoro-1-(3-methoxycyclohexyl)indole (PubChem CID 113342463) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-fluoro-1-(3-methoxycyclohexyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(3-methoxycyclohexyl)indole
PubChem CID113342463
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name4-fluoro-1-(3-methoxycyclohexyl)indole
SMILESCOC1CCCC(n2ccc3c(F)cccc32)C1
InChIInChI=1S/C15H18FNO/c1-18-12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3
InChIKeyMYGJFOKPWYUIKK-UHFFFAOYSA-N
XLogP3.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
CID 3033452
1-(4-Fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006440
(1S,2R)-1-(4-fluoro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483080
(1S,2R)-1-(5-fluoro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483084
(1S,2R)-1-(2-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483088
(1S,2R)-1-(6-fluoro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483089
(1S,2R)-1-(3-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483095
(1S,2R)-1-(4-fluorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483096

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methoxycyclohexyl)indole?
The IUPAC name of 4-fluoro-1-(3-methoxycyclohexyl)indole (CID 113342463) is 4-fluoro-1-(3-methoxycyclohexyl)indole.
What is the SMILES notation for 4-fluoro-1-(3-methoxycyclohexyl)indole?
The canonical SMILES for 4-fluoro-1-(3-methoxycyclohexyl)indole is COC1CCCC(n2ccc3c(F)cccc32)C1.
What is the InChIKey of 4-fluoro-1-(3-methoxycyclohexyl)indole?
The InChIKey is MYGJFOKPWYUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-18-12-5-2-4-11(10-12)17-9-8-13-14(16)6-3-7-15(13)17/h3,6-9,11-12H,2,4-5,10H2,1H3.
What are the key properties of 4-fluoro-1-(3-methoxycyclohexyl)indole?
4-fluoro-1-(3-methoxycyclohexyl)indole has a molecular weight of 247.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methoxycyclohexyl)indole is sourced from PubChem (CID 113342463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).