[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol

C20H19NO2 — CID 42597448

IUPAC[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESOCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1C2
InChIInChI=1S/C20H19NO2/c22-12-17-18(13-23)20(14-6-2-1-3-7-14)21-11-16-9-5-4-8-15(16)10-19(17)21/h1-9,22-23H,10-13H2
InChIKeyLQBINFWKLVVRJR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.09
Rot. Bonds3

About [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol

[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (PubChem CID 42597448) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
PubChem CID42597448
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESOCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1C2
InChIInChI=1S/C20H19NO2/c22-12-17-18(13-23)20(14-6-2-1-3-7-14)21-11-16-9-5-4-8-15(16)10-19(17)21/h1-9,22-23H,10-13H2
InChIKeyLQBINFWKLVVRJR-UHFFFAOYSA-N
XLogP3.09
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Hydroxymethyl-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl)methanol
CID 42597446
[3-Ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597447
[3-(4-Chlorophenyl)-2-hydroxymethyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597449
[3-(4-Fluorophenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597450
[3-(3,4-Difluorophenyl)-2-hydroxymethyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597684
[2-Hydroxymethyl-3-(4-methoxyphenyl)-5,10-dihydropyrrolo[1,2-b]-isoquinolin-1-yl]methanol
CID 42597686
(2-Hydroxymethyl-3-phenyl-8H-3a-azacyclopenta[a]inden-1-yl)methanol
CID 42599377
[3,6-dimethyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 56945246
[6-Ethyl-3-methyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 71574550
[9-Benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
CID 71574551
Topoisomerase I/II inhibitor BO-1978
CID 71575014
[2-(ethylcarbamoyloxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methyl N-ethylcarbamate
CID 53324725

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (CID 42597448) is [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is OCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1C2.
What is the InChIKey of [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The InChIKey is LQBINFWKLVVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-12-17-18(13-23)20(14-6-2-1-3-7-14)21-11-16-9-5-4-8-15(16)10-19(17)21/h1-9,22-23H,10-13H2.
What are the key properties of [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is sourced from PubChem (CID 42597448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).