1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid

C13H13NO3 — CID 117222820

IUPAC1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(-c2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C13H13NO3/c1-2-14-8-10(7-12(14)13(16)17)9-4-3-5-11(15)6-9/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyYZZQPNRBRJOYCS-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.58
Rot. Bonds3

About 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid

1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid (PubChem CID 117222820) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid
PubChem CID117222820
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(-c2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C13H13NO3/c1-2-14-8-10(7-12(14)13(16)17)9-4-3-5-11(15)6-9/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyYZZQPNRBRJOYCS-UHFFFAOYSA-N
XLogP2.58
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
CID 117222897
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
octalen-2-ol
CID 174999308
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
CID 169270982
3-[1-(3-hydroxyphenyl)pyrazol-4-yl]benzoic acid
CID 67506851
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid (CID 117222820) is 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid is CCn1cc(-c2cccc(O)c2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid?
The InChIKey is YZZQPNRBRJOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-14-8-10(7-12(14)13(16)17)9-4-3-5-11(15)6-9/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-hydroxyphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 117222820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).