2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate

C15H17NO4 — CID 175876328

IUPAC2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(-c2cc(C)c(C(=O)OCCO)[nH]2)cc1
InChIInChI=1S/C15H17NO4/c1-10-9-13(11-3-5-12(19-2)6-4-11)16-14(10)15(18)20-8-7-17/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyXTCOVJKLKLRVGV-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.15
Rot. Bonds5

About 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate

2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate (PubChem CID 175876328) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate
PubChem CID175876328
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(-c2cc(C)c(C(=O)OCCO)[nH]2)cc1
InChIInChI=1S/C15H17NO4/c1-10-9-13(11-3-5-12(19-2)6-4-11)16-14(10)15(18)20-8-7-17/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyXTCOVJKLKLRVGV-UHFFFAOYSA-N
XLogP2.15
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 135397515
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 100951026
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82082007
ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate;6-(4-methoxyphenyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 158187480
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
ethyl 5-(4-methoxyphenyl)-2-[2-(2-methylpropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600213
methyl 8-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-8-oxooctanoate
CID 157267999
methyl 3-[3-(hydroxymethyl)-5-methoxyphenyl]-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxylate
CID 58183325

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate (CID 175876328) is 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate is COc1ccc(-c2cc(C)c(C(=O)OCCO)[nH]2)cc1.
What is the InChIKey of 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is XTCOVJKLKLRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-9-13(11-3-5-12(19-2)6-4-11)16-14(10)15(18)20-8-7-17/h3-6,9,16-17H,7-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 175876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).