4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol

C15H16NO+ — CID 11346031

IUPAC4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol
SMILESCc1cc2[n+](cc1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C15H15NO/c1-11-9-13-3-2-8-16(13)10-15(11)12-4-6-14(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3/p+1
InChIKeyPTGFJAXMSHAWHR-UHFFFAOYSA-O
MW226.30 g/mol
LogP2.60
Rot. Bonds1

About 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol

4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol (PubChem CID 11346031) has the molecular formula C15H16NO+ and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol
PubChem CID11346031
Molecular FormulaC15H16NO+
Molecular Weight226.30 g/mol
Exact Mass226.12
IUPAC Name4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol
SMILESCc1cc2[n+](cc1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C15H15NO/c1-11-9-13-3-2-8-16(13)10-15(11)12-4-6-14(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3/p+1
InChIKeyPTGFJAXMSHAWHR-UHFFFAOYSA-O
XLogP2.60
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol?
The IUPAC name of 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol (CID 11346031) is 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol.
What is the SMILES notation for 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol?
The canonical SMILES for 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol is Cc1cc2[n+](cc1-c1ccc(O)cc1)CCC2.
What is the InChIKey of 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol?
The InChIKey is PTGFJAXMSHAWHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15NO/c1-11-9-13-3-2-8-16(13)10-15(11)12-4-6-14(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3/p+1.
What are the key properties of 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol?
4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol has a molecular weight of 226.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol is sourced from PubChem (CID 11346031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).