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

C19H16ClNO2 — CID 42599628

IUPAC[1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESOCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C19H16ClNO2/c20-14-7-5-12(6-8-14)19-16(11-23)15(10-22)18-9-13-3-1-2-4-17(13)21(18)19/h1-8,22-23H,9-11H2
InChIKeyOCSJSYYUYJXLLG-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.69
Rot. Bonds3

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

[1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (PubChem CID 42599628) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
PubChem CID42599628
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name[1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESOCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C19H16ClNO2/c20-14-7-5-12(6-8-14)19-16(11-23)15(10-22)18-9-13-3-1-2-4-17(13)21(18)19/h1-8,22-23H,9-11H2
InChIKeyOCSJSYYUYJXLLG-UHFFFAOYSA-N
XLogP3.69
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (CID 42599628) is [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is OCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2.
What is the InChIKey of [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The InChIKey is OCSJSYYUYJXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-14-7-5-12(6-8-14)19-16(11-23)15(10-22)18-9-13-3-1-2-4-17(13)21(18)19/h1-8,22-23H,9-11H2.
What are the key properties of [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
[1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol has a molecular weight of 325.80 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is sourced from PubChem (CID 42599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).