4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol

C22H22N2O — CID 70483928

IUPAC4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol
SMILESOc1c[nH]c2cccc(/C=C/CC3CC(c4ccccc4)=CCN3)c12
InChIInChI=1S/C22H22N2O/c25-21-15-24-20-11-5-9-17(22(20)21)8-4-10-19-14-18(12-13-23-19)16-6-2-1-3-7-16/h1-9,11-12,15,19,23-25H,10,13-14H2/b8-4+
InChIKeyFSDOMFFUNLEMLW-XBXARRHUSA-N
MW330.43 g/mol
LogP4.72
Rot. Bonds4

About 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol

4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol (PubChem CID 70483928) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol.

Molecular Properties

Compound Name4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol
PubChem CID70483928
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol
SMILESOc1c[nH]c2cccc(/C=C/CC3CC(c4ccccc4)=CCN3)c12
InChIInChI=1S/C22H22N2O/c25-21-15-24-20-11-5-9-17(22(20)21)8-4-10-19-14-18(12-13-23-19)16-6-2-1-3-7-16/h1-9,11-12,15,19,23-25H,10,13-14H2/b8-4+
InChIKeyFSDOMFFUNLEMLW-XBXARRHUSA-N
XLogP4.72
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol
CID 70484616
6-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
CID 70497626
7-chloro-4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indole
CID 70484276
4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole
CID 70484257
[3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indol-4-yl]methanol
CID 19786779
2-(4-chlorobutyl)-4-phenyl-1,2,3,6-tetrahydropyridine
CID 142648598
7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 54353975
methyl 3-[4-oxo-4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butanoyl]-1H-indole-4-carboxylate
CID 19786616
[3-[5-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)pentyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412488
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
CID 19786689
5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid;hydrochloride
CID 67883034

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol?
The IUPAC name of 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol (CID 70483928) is 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol.
What is the SMILES notation for 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol?
The canonical SMILES for 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol is Oc1c[nH]c2cccc(/C=C/CC3CC(c4ccccc4)=CCN3)c12.
What is the InChIKey of 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol?
The InChIKey is FSDOMFFUNLEMLW-XBXARRHUSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21-15-24-20-11-5-9-17(22(20)21)8-4-10-19-14-18(12-13-23-19)16-6-2-1-3-7-16/h1-9,11-12,15,19,23-25H,10,13-14H2/b8-4+.
What are the key properties of 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol?
4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol has a molecular weight of 330.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-3-ol is sourced from PubChem (CID 70483928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).