[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol

C13H15NO2 — CID 66915096

IUPAC[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
SMILESCOCc1c(-c2ccccc2)c[nH]c1CO
InChIInChI=1S/C13H15NO2/c1-16-9-12-11(7-14-13(12)8-15)10-5-3-2-4-6-10/h2-7,14-15H,8-9H2,1H3
InChIKeySJAULVJFGILCME-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.32
Rot. Bonds4

About [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol

[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol (PubChem CID 66915096) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
PubChem CID66915096
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
SMILESCOCc1c(-c2ccccc2)c[nH]c1CO
InChIInChI=1S/C13H15NO2/c1-16-9-12-11(7-14-13(12)8-15)10-5-3-2-4-6-10/h2-7,14-15H,8-9H2,1H3
InChIKeySJAULVJFGILCME-UHFFFAOYSA-N
XLogP2.32
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol?
The IUPAC name of [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol (CID 66915096) is [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol is COCc1c(-c2ccccc2)c[nH]c1CO.
What is the InChIKey of [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol?
The InChIKey is SJAULVJFGILCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-9-12-11(7-14-13(12)8-15)10-5-3-2-4-6-10/h2-7,14-15H,8-9H2,1H3.
What are the key properties of [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol?
[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 66915096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).