4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

C24H21NO — CID 3397803

IUPAC4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCC1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)cc3)c2C1
InChIInChI=1S/C24H21NO/c1-15-6-12-21-20(14-15)23(17-7-10-18(26)11-8-17)24-19-5-3-2-4-16(19)9-13-22(24)25-21/h2-5,7-11,13,15,26H,6,12,14H2,1H3
InChIKeyDCPLNOBMFZUHDG-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.89
Rot. Bonds1

About 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (PubChem CID 3397803) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.

Molecular Properties

Compound Name4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
PubChem CID3397803
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCC1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)cc3)c2C1
InChIInChI=1S/C24H21NO/c1-15-6-12-21-20(14-15)23(17-7-10-18(26)11-8-17)24-19-5-3-2-4-16(19)9-13-22(24)25-21/h2-5,7-11,13,15,26H,6,12,14H2,1H3
InChIKeyDCPLNOBMFZUHDG-UHFFFAOYSA-N
XLogP5.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-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-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The IUPAC name of 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (CID 3397803) is 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.
What is the SMILES notation for 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The canonical SMILES for 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is CC1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)cc3)c2C1.
What is the InChIKey of 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The InChIKey is DCPLNOBMFZUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-15-6-12-21-20(14-15)23(17-7-10-18(26)11-8-17)24-19-5-3-2-4-16(19)9-13-22(24)25-21/h2-5,7-11,13,15,26H,6,12,14H2,1H3.
What are the key properties of 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol has a molecular weight of 339.44 g/mol, XLogP of 5.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is sourced from PubChem (CID 3397803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).