(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol

C20H20FNO — CID 19004348

IUPAC(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol
SMILESCC(C)n1c(/C=C/CO)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H20FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-12,14,23H,13H2,1-2H3/b8-5+
InChIKeyFNSTUFINXQEHGA-VMPITWQZSA-N
MW309.38 g/mol
LogP5.03
Rot. Bonds4

About (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol

(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol (PubChem CID 19004348) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol
PubChem CID19004348
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol
SMILESCC(C)n1c(/C=C/CO)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H20FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-12,14,23H,13H2,1-2H3/b8-5+
InChIKeyFNSTUFINXQEHGA-VMPITWQZSA-N
XLogP5.03
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
CID 18683567
(E,5S)-1-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]hept-1-ene-3,5-diol
CID 59660746
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;zinc
CID 174650768
(2E,5S,6E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-5-hydroxyhepta-2,6-dienoic acid
CID 163202816
7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acid
CID 68879867
(E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67279140
(3R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acid
CID 68879870
tert-butyl 7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-oxohept-6-enoate
CID 90689749
(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enal;methanol
CID 91595621
ethyl (3S)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxypent-4-enoate
CID 69239724
sodium;(3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 172995871
(E,6S)-8-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-6-hydroxyoct-7-ene-2,4-dione
CID 58850460

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol (CID 19004348) is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol is CC(C)n1c(/C=C/CO)c(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol?
The InChIKey is FNSTUFINXQEHGA-VMPITWQZSA-N. The full InChI is InChI=1S/C20H20FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-12,14,23H,13H2,1-2H3/b8-5+.
What are the key properties of (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol?
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol has a molecular weight of 309.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 19004348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).