[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

C24H28O3 — CID 162420201

IUPAC[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCOc1cc(-c2ccccc2)cc(OC)c1[C@H]1C=C(CO)[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C24H28O3/c1-24(2)19-13-20(24)18(10-17(19)14-25)23-21(26-3)11-16(12-22(23)27-4)15-8-6-5-7-9-15/h5-12,18-20,25H,13-14H2,1-4H3/t18-,19+,20-/m0/s1
InChIKeyMZIFOWIZQOXHEH-ZCNNSNEGSA-N
MW364.49 g/mol
LogP5.05
Rot. Bonds5

About [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol (PubChem CID 162420201) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
PubChem CID162420201
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCOc1cc(-c2ccccc2)cc(OC)c1[C@H]1C=C(CO)[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C24H28O3/c1-24(2)19-13-20(24)18(10-17(19)14-25)23-21(26-3)11-16(12-22(23)27-4)15-8-6-5-7-9-15/h5-12,18-20,25H,13-14H2,1-4H3/t18-,19+,20-/m0/s1
InChIKeyMZIFOWIZQOXHEH-ZCNNSNEGSA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol 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 [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol?
The IUPAC name of [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol (CID 162420201) is [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol.
What is the SMILES notation for [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol?
The canonical SMILES for [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol is COc1cc(-c2ccccc2)cc(OC)c1[C@H]1C=C(CO)[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol?
The InChIKey is MZIFOWIZQOXHEH-ZCNNSNEGSA-N. The full InChI is InChI=1S/C24H28O3/c1-24(2)19-13-20(24)18(10-17(19)14-25)23-21(26-3)11-16(12-22(23)27-4)15-8-6-5-7-9-15/h5-12,18-20,25H,13-14H2,1-4H3/t18-,19+,20-/m0/s1.
What are the key properties of [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol?
[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol has a molecular weight of 364.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol is sourced from PubChem (CID 162420201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).