[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol

C20H19NO3 — CID 42599379

IUPAC[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc1
InChIInChI=1S/C20H19NO3/c1-24-15-8-6-13(7-9-15)20-17(12-23)16(11-22)19-10-14-4-2-3-5-18(14)21(19)20/h2-9,22-23H,10-12H2,1H3
InChIKeySCNHIBOGDBGMJE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.04
Rot. Bonds4

About [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol

[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (PubChem CID 42599379) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
PubChem CID42599379
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc1
InChIInChI=1S/C20H19NO3/c1-24-15-8-6-13(7-9-15)20-17(12-23)16(11-22)19-10-14-4-2-3-5-18(14)21(19)20/h2-9,22-23H,10-12H2,1H3
InChIKeySCNHIBOGDBGMJE-UHFFFAOYSA-N
XLogP3.04
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (CID 42599379) is [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is COc1ccc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc1.
What is the InChIKey of [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The InChIKey is SCNHIBOGDBGMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-15-8-6-13(7-9-15)20-17(12-23)16(11-22)19-10-14-4-2-3-5-18(14)21(19)20/h2-9,22-23H,10-12H2,1H3.
What are the key properties of [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol has a molecular weight of 321.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is sourced from PubChem (CID 42599379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).