5-methoxy-4-phenyl-1H-pyrrol-2-ol

C11H11NO2 — CID 20512181

IUPAC5-methoxy-4-phenyl-1H-pyrrol-2-ol
SMILESCOc1[nH]c(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO2/c1-14-11-9(7-10(13)12-11)8-5-3-2-4-6-8/h2-7,12-13H,1H3
InChIKeyCOBXKTQWVXHUSW-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.40
Rot. Bonds2

About 5-methoxy-4-phenyl-1H-pyrrol-2-ol

5-methoxy-4-phenyl-1H-pyrrol-2-ol (PubChem CID 20512181) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methoxy-4-phenyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-methoxy-4-phenyl-1H-pyrrol-2-ol
PubChem CID20512181
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-methoxy-4-phenyl-1H-pyrrol-2-ol
SMILESCOc1[nH]c(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO2/c1-14-11-9(7-10(13)12-11)8-5-3-2-4-6-8/h2-7,12-13H,1H3
InChIKeyCOBXKTQWVXHUSW-UHFFFAOYSA-N
XLogP2.40
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenyl-1H-pyrrol-2-ol?
The IUPAC name of 5-methoxy-4-phenyl-1H-pyrrol-2-ol (CID 20512181) is 5-methoxy-4-phenyl-1H-pyrrol-2-ol.
What is the SMILES notation for 5-methoxy-4-phenyl-1H-pyrrol-2-ol?
The canonical SMILES for 5-methoxy-4-phenyl-1H-pyrrol-2-ol is COc1[nH]c(O)cc1-c1ccccc1.
What is the InChIKey of 5-methoxy-4-phenyl-1H-pyrrol-2-ol?
The InChIKey is COBXKTQWVXHUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11-9(7-10(13)12-11)8-5-3-2-4-6-8/h2-7,12-13H,1H3.
What are the key properties of 5-methoxy-4-phenyl-1H-pyrrol-2-ol?
5-methoxy-4-phenyl-1H-pyrrol-2-ol has a molecular weight of 189.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenyl-1H-pyrrol-2-ol is sourced from PubChem (CID 20512181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).