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

C19H17NO2 — CID 42599377

IUPAC[2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESOCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C19H17NO2/c21-11-15-16(12-22)19(13-6-2-1-3-7-13)20-17-9-5-4-8-14(17)10-18(15)20/h1-9,21-22H,10-12H2
InChIKeyYHSWPTUSDZTXIQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.03
Rot. Bonds3

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

[2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol (PubChem CID 42599377) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol
PubChem CID42599377
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name[2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESOCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C19H17NO2/c21-11-15-16(12-22)19(13-6-2-1-3-7-13)20-17-9-5-4-8-14(17)10-18(15)20/h1-9,21-22H,10-12H2
InChIKeyYHSWPTUSDZTXIQ-UHFFFAOYSA-N
XLogP3.03
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol (CID 42599377) is [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol is OCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1-2.
What is the InChIKey of [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The InChIKey is YHSWPTUSDZTXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-11-15-16(12-22)19(13-6-2-1-3-7-13)20-17-9-5-4-8-14(17)10-18(15)20/h1-9,21-22H,10-12H2.
What are the key properties of [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
[2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methanol is sourced from PubChem (CID 42599377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).