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

C11H11NO — CID 149204917

IUPAC[3-(3H-pyrrol-2-yl)phenyl]methanol
SMILESOCc1cccc(C2=NC=CC2)c1
InChIInChI=1S/C11H11NO/c13-8-9-3-1-4-10(7-9)11-5-2-6-12-11/h1-4,6-7,13H,5,8H2
InChIKeyXFKJXJPPVPSUGC-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.89
Rot. Bonds2

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

[3-(3H-pyrrol-2-yl)phenyl]methanol (PubChem CID 149204917) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is [3-(3H-pyrrol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3H-pyrrol-2-yl)phenyl]methanol
PubChem CID149204917
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name[3-(3H-pyrrol-2-yl)phenyl]methanol
SMILESOCc1cccc(C2=NC=CC2)c1
InChIInChI=1S/C11H11NO/c13-8-9-3-1-4-10(7-9)11-5-2-6-12-11/h1-4,6-7,13H,5,8H2
InChIKeyXFKJXJPPVPSUGC-UHFFFAOYSA-N
XLogP1.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
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[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of [3-(3H-pyrrol-2-yl)phenyl]methanol?
The IUPAC name of [3-(3H-pyrrol-2-yl)phenyl]methanol (CID 149204917) is [3-(3H-pyrrol-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(3H-pyrrol-2-yl)phenyl]methanol?
The canonical SMILES for [3-(3H-pyrrol-2-yl)phenyl]methanol is OCc1cccc(C2=NC=CC2)c1.
What is the InChIKey of [3-(3H-pyrrol-2-yl)phenyl]methanol?
The InChIKey is XFKJXJPPVPSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-8-9-3-1-4-10(7-9)11-5-2-6-12-11/h1-4,6-7,13H,5,8H2.
What are the key properties of [3-(3H-pyrrol-2-yl)phenyl]methanol?
[3-(3H-pyrrol-2-yl)phenyl]methanol has a molecular weight of 173.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3H-pyrrol-2-yl)phenyl]methanol is sourced from PubChem (CID 149204917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).