3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol

C20H16N2O2 — CID 140905318

IUPAC3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2
InChIKeyXUZLZXYVERZDES-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.87
Rot. Bonds3

About 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol

3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 140905318) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
PubChem CID140905318
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol
SMILESOCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2
InChIKeyXUZLZXYVERZDES-UHFFFAOYSA-N
XLogP3.87
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol (CID 140905318) is 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol is OCc1ccc(-c2cn3c(-c4cccc(O)c4)ccc3cn2)cc1.
What is the InChIKey of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is XUZLZXYVERZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-13-14-4-6-15(7-5-14)19-12-22-17(11-21-19)8-9-20(22)16-2-1-3-18(24)10-16/h1-12,23-24H,13H2.
What are the key properties of 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol?
3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(hydroxymethyl)phenyl]pyrrolo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 140905318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).