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

C18H14N2O — CID 14833759

IUPACphenyl(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESOC(c1ccccc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2O/c21-18(12-6-2-1-3-7-12)17-16-14(10-11-19-17)13-8-4-5-9-15(13)20-16/h1-11,18,20-21H
InChIKeySNWOAHMLAZAOGH-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.80
Rot. Bonds2

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

phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol (PubChem CID 14833759) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol.

Molecular Properties

Compound Namephenyl(9H-pyrido[3,4-b]indol-1-yl)methanol
PubChem CID14833759
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Namephenyl(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESOC(c1ccccc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2O/c21-18(12-6-2-1-3-7-12)17-16-14(10-11-19-17)13-8-4-5-9-15(13)20-16/h1-11,18,20-21H
InChIKeySNWOAHMLAZAOGH-UHFFFAOYSA-N
XLogP3.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol?
The IUPAC name of phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol (CID 14833759) is phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol.
What is the SMILES notation for phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol?
The canonical SMILES for phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol is OC(c1ccccc1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol?
The InChIKey is SNWOAHMLAZAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(12-6-2-1-3-7-12)17-16-14(10-11-19-17)13-8-4-5-9-15(13)20-16/h1-11,18,20-21H.
What are the key properties of phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol?
phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol has a molecular weight of 274.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(9H-pyrido[3,4-b]indol-1-yl)methanol is sourced from PubChem (CID 14833759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).