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

C18H14N2O — CID 130269845

IUPAC(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O/c21-11-13-10-15-14-8-4-5-9-16(14)20-18(15)17(19-13)12-6-2-1-3-7-12/h1-10,20-21H,11H2
InChIKeyIBOYCWFRMDQCOL-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.88
Rot. Bonds2

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

(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol (PubChem CID 130269845) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
PubChem CID130269845
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O/c21-11-13-10-15-14-8-4-5-9-16(14)20-18(15)17(19-13)12-6-2-1-3-7-12/h1-10,20-21H,11H2
InChIKeyIBOYCWFRMDQCOL-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946442
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
benzyl N-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]carbamodithioate
CID 122185846
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
N',N'-bis[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine
CID 141373733

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The IUPAC name of (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol (CID 130269845) is (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol.
What is the SMILES notation for (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The canonical SMILES for (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol is OCc1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.
What is the InChIKey of (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The InChIKey is IBOYCWFRMDQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-11-13-10-15-14-8-4-5-9-16(14)20-18(15)17(19-13)12-6-2-1-3-7-12/h1-10,20-21H,11H2.
What are the key properties of (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol?
(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol has a molecular weight of 274.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol is sourced from PubChem (CID 130269845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).