4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol

C24H23NO2 — CID 145135798

IUPAC4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol
SMILESC=C(O)C1=CN2C(=CC1=C)c1cc(C)c(C)cc1CC2c1ccc(O)cc1
InChIInChI=1S/C24H23NO2/c1-14-9-19-12-23(18-5-7-20(27)8-6-18)25-13-22(17(4)26)16(3)11-24(25)21(19)10-15(14)2/h5-11,13,23,26-27H,3-4,12H2,1-2H3
InChIKeyUWHVPJNXFYSYSF-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.47
Rot. Bonds2

About 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol

4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol (PubChem CID 145135798) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol
PubChem CID145135798
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol
SMILESC=C(O)C1=CN2C(=CC1=C)c1cc(C)c(C)cc1CC2c1ccc(O)cc1
InChIInChI=1S/C24H23NO2/c1-14-9-19-12-23(18-5-7-20(27)8-6-18)25-13-22(17(4)26)16(3)11-24(25)21(19)10-15(14)2/h5-11,13,23,26-27H,3-4,12H2,1-2H3
InChIKeyUWHVPJNXFYSYSF-UHFFFAOYSA-N
XLogP5.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol?
The IUPAC name of 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol (CID 145135798) is 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol.
What is the SMILES notation for 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol?
The canonical SMILES for 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol is C=C(O)C1=CN2C(=CC1=C)c1cc(C)c(C)cc1CC2c1ccc(O)cc1.
What is the InChIKey of 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol?
The InChIKey is UWHVPJNXFYSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-14-9-19-12-23(18-5-7-20(27)8-6-18)25-13-22(17(4)26)16(3)11-24(25)21(19)10-15(14)2/h5-11,13,23,26-27H,3-4,12H2,1-2H3.
What are the key properties of 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol?
4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol has a molecular weight of 357.45 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol is sourced from PubChem (CID 145135798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).