2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid

C13H13NO3 — CID 115038136

IUPAC2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
SMILESCn1cccc1C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO3/c1-14-8-2-3-11(14)12(13(16)17)9-4-6-10(15)7-5-9/h2-8,12,15H,1H3,(H,16,17)
InChIKeySDGSRNJJRGAGTQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid

2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid (PubChem CID 115038136) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
PubChem CID115038136
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
SMILESCn1cccc1C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO3/c1-14-8-2-3-11(14)12(13(16)17)9-4-6-10(15)7-5-9/h2-8,12,15H,1H3,(H,16,17)
InChIKeySDGSRNJJRGAGTQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)acetic acid
CID 115037150
2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
CID 171976356
4-(1-methylpyrrol-2-yl)-4-phenylbutan-2-one
CID 102404112
dimethyl 2-(1-methylpyrrol-2-yl)propanedioate
CID 12794094
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
CID 171212602
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60832479
(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 2-(4-hydroxyphenyl)-2-phenylacetate
CID 140522919
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid (CID 115038136) is 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid is Cn1cccc1C(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
The InChIKey is SDGSRNJJRGAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14-8-2-3-11(14)12(13(16)17)9-4-6-10(15)7-5-9/h2-8,12,15H,1H3,(H,16,17).
What are the key properties of 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid?
2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(1-methylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 115038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).