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

C20H19NO3 — CID 42599378

IUPAC[2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCOc1ccccc1-c1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C20H19NO3/c1-24-19-9-5-3-7-14(19)20-16(12-23)15(11-22)18-10-13-6-2-4-8-17(13)21(18)20/h2-9,22-23H,10-12H2,1H3
InChIKeyCDOZNYMSSOHMBX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.04
Rot. Bonds4

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

[2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (PubChem CID 42599378) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
PubChem CID42599378
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCOc1ccccc1-c1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C20H19NO3/c1-24-19-9-5-3-7-14(19)20-16(12-23)15(11-22)18-10-13-6-2-4-8-17(13)21(18)20/h2-9,22-23H,10-12H2,1H3
InChIKeyCDOZNYMSSOHMBX-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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Related Compounds

(2-Hydroxymethyl-3-phenyl-8H-3a-azacyclopenta[a]inden-1-yl)methanol
CID 42599377
[1-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599380
[2-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599623
(2-Hydroxymethyl-6-methoxy-3-(4-methoxyphenyl)-8H-3a-aza-cyclopenta-[a]inden-1-yl)methanol
CID 42599855
[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
CID 42600610
[1-(2,6-dimethoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
CID 42600612
[2-(hydroxymethyl)-1-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599379
[1-(2,6-dimethoxyphenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599381
[1-(4-fluorophenyl)-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599627
[2-(Hydroxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
CID 71575107
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(1-methylindol-2-yl)methyl]pentan-2-ol
CID 10238042
3-(19-Cyclohexyl-10-fluoro-9-methyl-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13,15,17-heptaen-10-yl)propan-1-ol
CID 90840575

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (CID 42599378) is [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is COc1ccccc1-c1c(CO)c(CO)c2n1-c1ccccc1C2.
What is the InChIKey of [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The InChIKey is CDOZNYMSSOHMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-19-9-5-3-7-14(19)20-16(12-23)15(11-22)18-10-13-6-2-4-8-17(13)21(18)20/h2-9,22-23H,10-12H2,1H3.
What are the key properties of [2-(hydroxymethyl)-1-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
[2-(hydroxymethyl)-1-(2-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-(2-methoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is sourced from PubChem (CID 42599378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).