[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol

C19H16N2O — CID 57334587

IUPAC[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C19H16N2O/c1-12-19-16(7-8-20-12)17-10-15(5-6-18(17)21-19)14-4-2-3-13(9-14)11-22/h2-10,21-22H,11H2,1H3
InChIKeyQCNPRLRLGBJYDQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.18
Rot. Bonds2

About [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol

[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol (PubChem CID 57334587) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
PubChem CID57334587
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C19H16N2O/c1-12-19-16(7-8-20-12)17-10-15(5-6-18(17)21-19)14-4-2-3-13(9-14)11-22/h2-10,21-22H,11H2,1H3
InChIKeyQCNPRLRLGBJYDQ-UHFFFAOYSA-N
XLogP4.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol?
The IUPAC name of [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol (CID 57334587) is [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol.
What is the SMILES notation for [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol?
The canonical SMILES for [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol is Cc1nccc2c1[nH]c1ccc(-c3cccc(CO)c3)cc12.
What is the InChIKey of [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol?
The InChIKey is QCNPRLRLGBJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12-19-16(7-8-20-12)17-10-15(5-6-18(17)21-19)14-4-2-3-13(9-14)11-22/h2-10,21-22H,11H2,1H3.
What are the key properties of [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol?
[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol has a molecular weight of 288.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol is sourced from PubChem (CID 57334587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).