1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol

C15H19NO3 — CID 170819208

IUPAC1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol
SMILESCc1cc(C(O)C(O)CO)c(C)n1-c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-8-13(15(19)14(18)9-17)11(2)16(10)12-6-4-3-5-7-12/h3-8,14-15,17-19H,9H2,1-2H3
InChIKeyYURUVVFXGIPZLW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol

1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol (PubChem CID 170819208) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol
PubChem CID170819208
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol
SMILESCc1cc(C(O)C(O)CO)c(C)n1-c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-8-13(15(19)14(18)9-17)11(2)16(10)12-6-4-3-5-7-12/h3-8,14-15,17-19H,9H2,1-2H3
InChIKeyYURUVVFXGIPZLW-UHFFFAOYSA-N
XLogP1.48
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170835559
ethyl 4-[3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 171857313
3-azido-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol
CID 170827413
3-chloro-1-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]propane-1,2-diol
CID 171863421
1-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-sulfanylpropane-1,2-diol
CID 170821266
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
ethyl 4-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 170835564
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
CID 155135193
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442
2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol
CID 139319154
1-[4-(2-hydroxypropyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]propan-2-ol
CID 70566523

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol (CID 170819208) is 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol is Cc1cc(C(O)C(O)CO)c(C)n1-c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol?
The InChIKey is YURUVVFXGIPZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-8-13(15(19)14(18)9-17)11(2)16(10)12-6-4-3-5-7-12/h3-8,14-15,17-19H,9H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol?
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol has a molecular weight of 261.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170819208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).