phenyl(1H-pyrrol-3-yl)methanol

C11H11NO — CID 63750361

IUPACphenyl(1H-pyrrol-3-yl)methanol
SMILESOC(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C11H11NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,11-13H
InChIKeyHRRTXSWZRQZWFJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.10
Rot. Bonds2

About phenyl(1H-pyrrol-3-yl)methanol

phenyl(1H-pyrrol-3-yl)methanol (PubChem CID 63750361) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is phenyl(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Namephenyl(1H-pyrrol-3-yl)methanol
PubChem CID63750361
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Namephenyl(1H-pyrrol-3-yl)methanol
SMILESOC(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C11H11NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,11-13H
InChIKeyHRRTXSWZRQZWFJ-UHFFFAOYSA-N
XLogP2.10
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(1H-pyrrol-3-yl)methanol?
The IUPAC name of phenyl(1H-pyrrol-3-yl)methanol (CID 63750361) is phenyl(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for phenyl(1H-pyrrol-3-yl)methanol?
The canonical SMILES for phenyl(1H-pyrrol-3-yl)methanol is OC(c1ccccc1)c1cc[nH]c1.
What is the InChIKey of phenyl(1H-pyrrol-3-yl)methanol?
The InChIKey is HRRTXSWZRQZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,11-13H.
What are the key properties of phenyl(1H-pyrrol-3-yl)methanol?
phenyl(1H-pyrrol-3-yl)methanol has a molecular weight of 173.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63750361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).