(3-pyrrol-1-ylphenyl)methanol

C11H11NO — CID 2776531

IUPAC(3-pyrrol-1-ylphenyl)methanol
SMILESOCc1cccc(-n2cccc2)c1
InChIInChI=1S/C11H11NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-8,13H,9H2
InChIKeyQQXDXYAGEXWXQU-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.97
Rot. Bonds2

About (3-pyrrol-1-ylphenyl)methanol

(3-pyrrol-1-ylphenyl)methanol (PubChem CID 2776531) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (3-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(3-pyrrol-1-ylphenyl)methanol
PubChem CID2776531
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(3-pyrrol-1-ylphenyl)methanol
SMILESOCc1cccc(-n2cccc2)c1
InChIInChI=1S/C11H11NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-8,13H,9H2
InChIKeyQQXDXYAGEXWXQU-UHFFFAOYSA-N
XLogP1.97
TPSA25.16 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-Pyrrol-1-yl)phenyl]methanol
CID 599478
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
Phenyl(pyridin-2-yl)methanol
CID 315585
1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 2997379
[2-(Pyridin-3-ylmethylideneamino)phenyl]methanol
CID 4677912
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
2-(1H-indol-1-yl)-1-phenylethanol
CID 11842267
2,3-Dihydro-1H-pyrrolizine-7-methanol
CID 99564
3-(1H-pyrrol-1-yl)benzoic acid
CID 736537

Frequently Asked Questions

What is the IUPAC name of (3-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (3-pyrrol-1-ylphenyl)methanol (CID 2776531) is (3-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (3-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (3-pyrrol-1-ylphenyl)methanol is OCc1cccc(-n2cccc2)c1.
What is the InChIKey of (3-pyrrol-1-ylphenyl)methanol?
The InChIKey is QQXDXYAGEXWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-8,13H,9H2.
What are the key properties of (3-pyrrol-1-ylphenyl)methanol?
(3-pyrrol-1-ylphenyl)methanol has a molecular weight of 173.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 2776531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).