(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one

C18H17NO2 — CID 131751228

IUPAC(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one
SMILESCN1/C=C\c2ccccc2C(c2ccccc2)C(O)C1=O
InChIInChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-
InChIKeyVRSSZILNAITUII-QXMHVHEDSA-N
MW279.34 g/mol
LogP2.62
Rot. Bonds1

About (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one

(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one (PubChem CID 131751228) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one.

Molecular Properties

Compound Name(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one
PubChem CID131751228
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one
SMILESCN1/C=C\c2ccccc2C(c2ccccc2)C(O)C1=O
InChIInChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-
InChIKeyVRSSZILNAITUII-QXMHVHEDSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one?
The IUPAC name of (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one (CID 131751228) is (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one.
What is the SMILES notation for (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one?
The canonical SMILES for (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one is CN1/C=C\c2ccccc2C(c2ccccc2)C(O)C1=O.
What is the InChIKey of (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one?
The InChIKey is VRSSZILNAITUII-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-.
What are the key properties of (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one?
(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one is sourced from PubChem (CID 131751228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).