[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol

C19H17NO2 — CID 162667518

IUPAC[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol
SMILESCc1c(CO)c(CO)c2c3ccccc3c3ccccc3n12
InChIInChI=1S/C19H17NO2/c1-12-16(10-21)17(11-22)19-15-8-3-2-6-13(15)14-7-4-5-9-18(14)20(12)19/h2-9,21-22H,10-11H2,1H3
InChIKeyRSGVQXYAKWXAQL-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.54
Rot. Bonds2

About [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol

[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol (PubChem CID 162667518) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol
PubChem CID162667518
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol
SMILESCc1c(CO)c(CO)c2c3ccccc3c3ccccc3n12
InChIInChI=1S/C19H17NO2/c1-12-16(10-21)17(11-22)19-15-8-3-2-6-13(15)14-7-4-5-9-18(14)20(12)19/h2-9,21-22H,10-11H2,1H3
InChIKeyRSGVQXYAKWXAQL-UHFFFAOYSA-N
XLogP3.54
TPSA44.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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(2-Hydroxymethyl-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl)methanol
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[3-Ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597447
[2-(Hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
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[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

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol (CID 162667518) is [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol is Cc1c(CO)c(CO)c2c3ccccc3c3ccccc3n12.
What is the InChIKey of [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol?
The InChIKey is RSGVQXYAKWXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-16(10-21)17(11-22)19-15-8-3-2-6-13(15)14-7-4-5-9-18(14)20(12)19/h2-9,21-22H,10-11H2,1H3.
What are the key properties of [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol?
[1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3-methylpyrrolo[1,2-f]phenanthridin-2-yl]methanol is sourced from PubChem (CID 162667518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).