4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol

C22H22N2O — CID 70484616

IUPAC4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]ccc2c1C=CCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C22H22N2O/c25-22-10-9-21-19(12-14-24-21)20(22)8-4-7-18-15-17(11-13-23-18)16-5-2-1-3-6-16/h1-6,8-12,14,18,23-25H,7,13,15H2
InChIKeyPXDUVDFLGRPZIC-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.72
Rot. Bonds4

About 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol

4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol (PubChem CID 70484616) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol.

Molecular Properties

Compound Name4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol
PubChem CID70484616
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]ccc2c1C=CCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C22H22N2O/c25-22-10-9-21-19(12-14-24-21)20(22)8-4-7-18-15-17(11-13-23-18)16-5-2-1-3-6-16/h1-6,8-12,14,18,23-25H,7,13,15H2
InChIKeyPXDUVDFLGRPZIC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol?
The IUPAC name of 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol (CID 70484616) is 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol.
What is the SMILES notation for 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol?
The canonical SMILES for 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol is Oc1ccc2[nH]ccc2c1C=CCC1CC(c2ccccc2)=CCN1.
What is the InChIKey of 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol?
The InChIKey is PXDUVDFLGRPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22-10-9-21-19(12-14-24-21)20(22)8-4-7-18-15-17(11-13-23-18)16-5-2-1-3-6-16/h1-6,8-12,14,18,23-25H,7,13,15H2.
What are the key properties of 4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol?
4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-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-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)prop-1-enyl]-1H-indol-5-ol is sourced from PubChem (CID 70484616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).