4-(1-dodecyl-5-methylpyrrol-2-yl)phenol

C23H35NO — CID 22387704

IUPAC4-(1-dodecyl-5-methylpyrrol-2-yl)phenol
SMILESCCCCCCCCCCCCn1c(C)ccc1-c1ccc(O)cc1
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-19-24-20(2)13-18-23(24)21-14-16-22(25)17-15-21/h13-18,25H,3-12,19H2,1-2H3
InChIKeyFJDCTUAIUIFLHW-UHFFFAOYSA-N
MW341.54 g/mol
LogP7.09
Rot. Bonds12

About 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol

4-(1-dodecyl-5-methylpyrrol-2-yl)phenol (PubChem CID 22387704) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol.

Molecular Properties

Compound Name4-(1-dodecyl-5-methylpyrrol-2-yl)phenol
PubChem CID22387704
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name4-(1-dodecyl-5-methylpyrrol-2-yl)phenol
SMILESCCCCCCCCCCCCn1c(C)ccc1-c1ccc(O)cc1
InChIInChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-19-24-20(2)13-18-23(24)21-14-16-22(25)17-15-21/h13-18,25H,3-12,19H2,1-2H3
InChIKeyFJDCTUAIUIFLHW-UHFFFAOYSA-N
XLogP7.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-heptylphenyl)-5-methylpyrrol-2-yl]phenol
CID 22387443
1-nonylpyrrole-2,5-diol
CID 54200108
1-hexylpyrrole-2,5-diol
CID 54126791
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
ethyl (2R)-2-[4-[5-methyl-1-[3-(4-pentylphenyl)propyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate
CID 86759769
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
CID 82467243

Frequently Asked Questions

What is the IUPAC name of 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol?
The IUPAC name of 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol (CID 22387704) is 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol.
What is the SMILES notation for 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol?
The canonical SMILES for 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol is CCCCCCCCCCCCn1c(C)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol?
The InChIKey is FJDCTUAIUIFLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-3-4-5-6-7-8-9-10-11-12-19-24-20(2)13-18-23(24)21-14-16-22(25)17-15-21/h13-18,25H,3-12,19H2,1-2H3.
What are the key properties of 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol?
4-(1-dodecyl-5-methylpyrrol-2-yl)phenol has a molecular weight of 341.54 g/mol, XLogP of 7.09, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dodecyl-5-methylpyrrol-2-yl)phenol is sourced from PubChem (CID 22387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).