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

C20H18N2O — CID 57336062

IUPAC1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(C(C)O)c3)cc12
InChIInChI=1S/C20H18N2O/c1-12-20-17(8-9-21-12)18-11-16(6-7-19(18)22-20)15-5-3-4-14(10-15)13(2)23/h3-11,13,22-23H,1-2H3
InChIKeyJLRBDOSXMOGWGI-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.74
Rot. Bonds2

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

1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol (PubChem CID 57336062) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
PubChem CID57336062
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
SMILESCc1nccc2c1[nH]c1ccc(-c3cccc(C(C)O)c3)cc12
InChIInChI=1S/C20H18N2O/c1-12-20-17(8-9-21-12)18-11-16(6-7-19(18)22-20)15-5-3-4-14(10-15)13(2)23/h3-11,13,22-23H,1-2H3
InChIKeyJLRBDOSXMOGWGI-UHFFFAOYSA-N
XLogP4.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol with MolForge

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Related Compounds

[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
CID 57334587
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57336206
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
1-methyl-6-[2-(2H-tetrazol-5-ylmethyl)phenyl]-9H-pyrido[3,4-b]indole
CID 57336207
3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
CID 57333983
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
CID 45231150
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
1-[3-(2-phenylphenyl)phenyl]ethanol
CID 70377718
6-bromo-9-[(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)methyl]-1-methylpyrido[3,4-b]indole;6-bromo-1-methyl-9H-pyrido[3,4-b]indole
CID 158917289
1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
CID 56907537
1-methyl-N-(thian-4-yl)-9H-pyrido[3,4-b]indol-6-amine
CID 154635268

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol?
The IUPAC name of 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol (CID 57336062) is 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol is Cc1nccc2c1[nH]c1ccc(-c3cccc(C(C)O)c3)cc12.
What is the InChIKey of 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol?
The InChIKey is JLRBDOSXMOGWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-12-20-17(8-9-21-12)18-11-16(6-7-19(18)22-20)15-5-3-4-14(10-15)13(2)23/h3-11,13,22-23H,1-2H3.
What are the key properties of 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol?
1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol has a molecular weight of 302.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol is sourced from PubChem (CID 57336062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).