2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid

C12H11NO2 — CID 13229127

IUPAC2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc[nH]2)cc1
InChIInChI=1S/C12H11NO2/c14-12(15)8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,13H,8H2,(H,14,15)
InChIKeyGCIPIBGEOCVWBD-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid

2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid (PubChem CID 13229127) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid
PubChem CID13229127
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc[nH]2)cc1
InChIInChI=1S/C12H11NO2/c14-12(15)8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,13H,8H2,(H,14,15)
InChIKeyGCIPIBGEOCVWBD-UHFFFAOYSA-N
XLogP2.31
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
Dl-Tryptophan
CID 1148
D-Tryptophan
CID 9060
Indole-3-pyruvic acid
CID 803
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
Indole-3-acetate
CID 801
alpha-Methyltryptophan
CID 95438
5-Fluoroindole-3-acetic acid
CID 96750
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid (CID 13229127) is 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid?
The InChIKey is GCIPIBGEOCVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,13H,8H2,(H,14,15).
What are the key properties of 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid?
2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 13229127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).