(2-phenyl-3H-pyrrol-4-yl)methanol

C11H11NO — CID 147092493

IUPAC(2-phenyl-3H-pyrrol-4-yl)methanol
SMILESOCC1=CN=C(c2ccccc2)C1
InChIInChI=1S/C11H11NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-5,7,13H,6,8H2
InChIKeyBJBYVAYEDJGKGO-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds2

About (2-phenyl-3H-pyrrol-4-yl)methanol

(2-phenyl-3H-pyrrol-4-yl)methanol (PubChem CID 147092493) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (2-phenyl-3H-pyrrol-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-3H-pyrrol-4-yl)methanol
PubChem CID147092493
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(2-phenyl-3H-pyrrol-4-yl)methanol
SMILESOCC1=CN=C(c2ccccc2)C1
InChIInChI=1S/C11H11NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-5,7,13H,6,8H2
InChIKeyBJBYVAYEDJGKGO-UHFFFAOYSA-N
XLogP1.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ST026286
CID 3251128
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
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1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
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[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
CID 149025000
[2-(2-fluorophenyl)-3H-pyrrol-4-yl]methanol
CID 158669979
[5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]methanol
CID 175775605
(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
CID 102498820
N-(hydroxypropyl)-2-hydroxyacetophenonimine
CID 129657785
1-Phenyl-2-azaspiro[4.5]dec-1-en-3-ol
CID 132819998
4,4-Dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
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[5-(4-fluorophenyl)-2H-pyrrol-3-yl]methanol
CID 162007573

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3H-pyrrol-4-yl)methanol?
The IUPAC name of (2-phenyl-3H-pyrrol-4-yl)methanol (CID 147092493) is (2-phenyl-3H-pyrrol-4-yl)methanol.
What is the SMILES notation for (2-phenyl-3H-pyrrol-4-yl)methanol?
The canonical SMILES for (2-phenyl-3H-pyrrol-4-yl)methanol is OCC1=CN=C(c2ccccc2)C1.
What is the InChIKey of (2-phenyl-3H-pyrrol-4-yl)methanol?
The InChIKey is BJBYVAYEDJGKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-5,7,13H,6,8H2.
What are the key properties of (2-phenyl-3H-pyrrol-4-yl)methanol?
(2-phenyl-3H-pyrrol-4-yl)methanol has a molecular weight of 173.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3H-pyrrol-4-yl)methanol is sourced from PubChem (CID 147092493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).