6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol

C19H16N2O — CID 58514473

IUPAC6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol
SMILESOc1cnc2[nH]c3ccc(CCc4ccccc4)cc3c2c1
InChIInChI=1S/C19H16N2O/c22-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)21-19(17)20-12-15/h1-5,8-12,22H,6-7H2,(H,20,21)
InChIKeyHFKLZROKMBRUHE-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.21
Rot. Bonds3

About 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol

6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol (PubChem CID 58514473) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol.

Molecular Properties

Compound Name6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol
PubChem CID58514473
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol
SMILESOc1cnc2[nH]c3ccc(CCc4ccccc4)cc3c2c1
InChIInChI=1S/C19H16N2O/c22-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)21-19(17)20-12-15/h1-5,8-12,22H,6-7H2,(H,20,21)
InChIKeyHFKLZROKMBRUHE-UHFFFAOYSA-N
XLogP4.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol?
The IUPAC name of 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol (CID 58514473) is 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol.
What is the SMILES notation for 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol?
The canonical SMILES for 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol is Oc1cnc2[nH]c3ccc(CCc4ccccc4)cc3c2c1.
What is the InChIKey of 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol?
The InChIKey is HFKLZROKMBRUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)21-19(17)20-12-15/h1-5,8-12,22H,6-7H2,(H,20,21).
What are the key properties of 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol?
6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol has a molecular weight of 288.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-9H-pyrido[2,3-b]indol-3-ol is sourced from PubChem (CID 58514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).