3-(9H-pyrido[3,4-b]indol-1-yl)phenol

C17H12N2O — CID 46244084

IUPAC3-(9H-pyrido[3,4-b]indol-1-yl)phenol
SMILESOc1cccc(-c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C17H12N2O/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-10,19-20H
InChIKeyFECICFUYGJYTCL-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.09
Rot. Bonds1

About 3-(9H-pyrido[3,4-b]indol-1-yl)phenol

3-(9H-pyrido[3,4-b]indol-1-yl)phenol (PubChem CID 46244084) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(9H-pyrido[3,4-b]indol-1-yl)phenol.

Molecular Properties

Compound Name3-(9H-pyrido[3,4-b]indol-1-yl)phenol
PubChem CID46244084
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-(9H-pyrido[3,4-b]indol-1-yl)phenol
SMILESOc1cccc(-c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C17H12N2O/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-10,19-20H
InChIKeyFECICFUYGJYTCL-UHFFFAOYSA-N
XLogP4.09
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-pyrido[3,4-b]indol-1-yl)phenol?
The IUPAC name of 3-(9H-pyrido[3,4-b]indol-1-yl)phenol (CID 46244084) is 3-(9H-pyrido[3,4-b]indol-1-yl)phenol.
What is the SMILES notation for 3-(9H-pyrido[3,4-b]indol-1-yl)phenol?
The canonical SMILES for 3-(9H-pyrido[3,4-b]indol-1-yl)phenol is Oc1cccc(-c2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 3-(9H-pyrido[3,4-b]indol-1-yl)phenol?
The InChIKey is FECICFUYGJYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-10,19-20H.
What are the key properties of 3-(9H-pyrido[3,4-b]indol-1-yl)phenol?
3-(9H-pyrido[3,4-b]indol-1-yl)phenol has a molecular weight of 260.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-pyrido[3,4-b]indol-1-yl)phenol is sourced from PubChem (CID 46244084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).