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

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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).