4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol

C23H17NO3 — CID 137121344

IUPAC4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol
SMILESCOc1cccc2c3cccc(C)c3c3c(-c4ccc(O)cc4)onc3c12
InChIInChI=1S/C23H17NO3/c1-13-5-3-6-16-17-7-4-8-18(26-2)20(17)22-21(19(13)16)23(27-24-22)14-9-11-15(25)12-10-14/h3-12,25H,1-2H3
InChIKeyKNGIORQWCMGIBB-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.82
Rot. Bonds2

About 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol

4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol (PubChem CID 137121344) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol.

Molecular Properties

Compound Name4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol
PubChem CID137121344
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol
SMILESCOc1cccc2c3cccc(C)c3c3c(-c4ccc(O)cc4)onc3c12
InChIInChI=1S/C23H17NO3/c1-13-5-3-6-16-17-7-4-8-18(26-2)20(17)22-21(19(13)16)23(27-24-22)14-9-11-15(25)12-10-14/h3-12,25H,1-2H3
InChIKeyKNGIORQWCMGIBB-UHFFFAOYSA-N
XLogP5.82
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol 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 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol?
The IUPAC name of 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol (CID 137121344) is 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol.
What is the SMILES notation for 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol?
The canonical SMILES for 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol is COc1cccc2c3cccc(C)c3c3c(-c4ccc(O)cc4)onc3c12.
What is the InChIKey of 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol?
The InChIKey is KNGIORQWCMGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-13-5-3-6-16-17-7-4-8-18(26-2)20(17)22-21(19(13)16)23(27-24-22)14-9-11-15(25)12-10-14/h3-12,25H,1-2H3.
What are the key properties of 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol?
4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol has a molecular weight of 355.39 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-methoxy-4-methylphenanthro[9,10-c][1,2]oxazol-3-yl)phenol is sourced from PubChem (CID 137121344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).