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

C20H18N2O2 — CID 5358763

IUPAC1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cc2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H18N2O2/c1-24-14-8-6-13(7-9-14)19(23)12-18-20-16(10-11-21-18)15-4-2-3-5-17(15)22-20/h2-11,19,22-23H,12H2,1H3
InChIKeyZNHDLUHYWBYUJI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.00
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol (PubChem CID 5358763) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
PubChem CID5358763
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cc2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H18N2O2/c1-24-14-8-6-13(7-9-14)19(23)12-18-20-16(10-11-21-18)15-4-2-3-5-17(15)22-20/h2-11,19,22-23H,12H2,1H3
InChIKeyZNHDLUHYWBYUJI-UHFFFAOYSA-N
XLogP4.00
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(E)-1-(4-methoxyphenyl)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681564
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
CID 6989288

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol (CID 5358763) is 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol is COc1ccc(C(O)Cc2nccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
The InChIKey is ZNHDLUHYWBYUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-14-8-6-13(7-9-14)19(23)12-18-20-16(10-11-21-18)15-4-2-3-5-17(15)22-20/h2-11,19,22-23H,12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol?
1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol has a molecular weight of 318.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 5358763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).