4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylPhenol

HCID 23008331

Notes Reactions

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Basic information

CAS: 596790-75-9
Standard SMILES: Cc1cc(O)ccc1-n1c(C)ccc1C
InChIKey: OKQWIPLWUPQJLY-UHFFFAOYSA-N
Molecular formula: C13H15NO
Average molar mass: 201.26 g/mol
Monoisotopic mass: 201.1153641

Names & identifiers

Preferred name: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylPhenol
IUPAC: 4-(2,5-dimethylpyrrol-1-yl)-3-methylphenol

Names & synonyms

596790-75-94-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylPhenolSCHEMBL5005053DTXSID50629725OKQWIPLWUPQJLY-UHFFFAOYSA-NAKOS004122420DA-045561-(4-hydroxy-2-methylphenyl)-2,5-dimethylpyrrole

Database identifiers

CAS: 596790-75-9
PubChem CID: 23008331
DTXSID: DTXSID50629725

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 25.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 209

Related reactions

2 records

New reaction record

HRID 688461As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2375377As reactantuspto-grants-2008_12

Compound notes

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