4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid

C12H11NO4 — CID 105492230

IUPAC4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(O)cc2)c[nH]1
InChIInChI=1S/C12H11NO4/c14-9-1-3-10(4-2-9)17-7-8-5-11(12(15)16)13-6-8/h1-6,13-14H,7H2,(H,15,16)
InChIKeyKZYZHALQSRFBHF-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.00
Rot. Bonds4

About 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid

4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 105492230) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid
PubChem CID105492230
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(O)cc2)c[nH]1
InChIInChI=1S/C12H11NO4/c14-9-1-3-10(4-2-9)17-7-8-5-11(12(15)16)13-6-8/h1-6,13-14H,7H2,(H,15,16)
InChIKeyKZYZHALQSRFBHF-UHFFFAOYSA-N
XLogP2.00
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid (CID 105492230) is 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(COc2ccc(O)cc2)c[nH]1.
What is the InChIKey of 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is KZYZHALQSRFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9-1-3-10(4-2-9)17-7-8-5-11(12(15)16)13-6-8/h1-6,13-14H,7H2,(H,15,16).
What are the key properties of 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid?
4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenoxy)methyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 105492230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).