(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol

C16H18N2O3 — CID 162869619

IUPAC(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCCO[C@H](CO)c1ncc(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C16H18N2O3/c1-3-21-13(9-19)15-16-14(12(20-2)8-17-15)10-6-4-5-7-11(10)18-16/h4-8,13,18-19H,3,9H2,1-2H3/t13-/m1/s1
InChIKeyLDIDCYKCWDZMPI-CYBMUJFWSA-N
MW286.33 g/mol
LogP2.79
Rot. Bonds5

About (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol

(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol (PubChem CID 162869619) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol
PubChem CID162869619
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCCO[C@H](CO)c1ncc(OC)c2c1[nH]c1ccccc12
InChIInChI=1S/C16H18N2O3/c1-3-21-13(9-19)15-16-14(12(20-2)8-17-15)10-6-4-5-7-11(10)18-16/h4-8,13,18-19H,3,9H2,1-2H3/t13-/m1/s1
InChIKeyLDIDCYKCWDZMPI-CYBMUJFWSA-N
XLogP2.79
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol?
The IUPAC name of (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol (CID 162869619) is (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol is CCO[C@H](CO)c1ncc(OC)c2c1[nH]c1ccccc12.
What is the InChIKey of (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol?
The InChIKey is LDIDCYKCWDZMPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-13(9-19)15-16-14(12(20-2)8-17-15)10-6-4-5-7-11(10)18-16/h4-8,13,18-19H,3,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol?
(2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol has a molecular weight of 286.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 162869619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).