[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol

C15H19NO2 — CID 955523

IUPAC[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCCOc1ccc(-n2c(C)cc(CO)c2C)cc1
InChIInChI=1S/C15H19NO2/c1-4-18-15-7-5-14(6-8-15)16-11(2)9-13(10-17)12(16)3/h5-9,17H,4,10H2,1-3H3
InChIKeyDJGQWAJBHUBJNI-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.99
Rot. Bonds4

About [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol

[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol (PubChem CID 955523) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
PubChem CID955523
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCCOc1ccc(-n2c(C)cc(CO)c2C)cc1
InChIInChI=1S/C15H19NO2/c1-4-18-15-7-5-14(6-8-15)16-11(2)9-13(10-17)12(16)3/h5-9,17H,4,10H2,1-3H3
InChIKeyDJGQWAJBHUBJNI-UHFFFAOYSA-N
XLogP2.99
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 934175
N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-methylmethanamine
CID 6900623
ethyl (5E)-4-hydroxy-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylpyrrole-3-carboxylate
CID 136218797
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]acetic acid
CID 776871
[1-(4-ethoxyphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
CID 321867
[4-(Acetyloxymethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl acetate
CID 321873
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 608518
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-ethoxyphenyl)-
CID 206046
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-
CID 206054
2-cyano-3-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
CID 2421134
1-[4-(Difluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 2374190
N-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]cyclohexanamine
CID 50850630

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol (CID 955523) is [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol is CCOc1ccc(-n2c(C)cc(CO)c2C)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The InChIKey is DJGQWAJBHUBJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-18-15-7-5-14(6-8-15)16-11(2)9-13(10-17)12(16)3/h5-9,17H,4,10H2,1-3H3.
What are the key properties of [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol has a molecular weight of 245.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 955523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).