methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate

C13H13NO3 — CID 117223159

IUPACmethyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)cn1C
InChIInChI=1S/C13H13NO3/c1-14-8-10(7-12(14)13(16)17-2)9-3-5-11(15)6-4-9/h3-8,15H,1-2H3
InChIKeyVKWRMUUEKBHAEI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds2

About methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate

methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate (PubChem CID 117223159) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
PubChem CID117223159
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)cn1C
InChIInChI=1S/C13H13NO3/c1-14-8-10(7-12(14)13(16)17-2)9-3-5-11(15)6-4-9/h3-8,15H,1-2H3
InChIKeyVKWRMUUEKBHAEI-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
CID 117222454
methyl 1-methyl-4-[4-[(1-methyl-4-propan-2-ylimidazole-2-carbonyl)amino]phenyl]pyrrole-2-carboxylate
CID 118069032
4-(5-fluoro-1-methylpyrrol-3-yl)phenol
CID 141130735
5-methoxycarbonyl-1-methylpyrrole-3-sulfinic acid
CID 165449442
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143
2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
methyl 4-[4-[[4-[[4-[4-(dimethylamino)butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 69156537

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate (CID 117223159) is methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(-c2ccc(O)cc2)cn1C.
What is the InChIKey of methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is VKWRMUUEKBHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14-8-10(7-12(14)13(16)17-2)9-3-5-11(15)6-4-9/h3-8,15H,1-2H3.
What are the key properties of methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate?
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 117223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).