2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

C26H24BrNO2 — CID 4314975

IUPAC2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCCOc1cc(-c2c3c(nc4ccc5ccccc5c24)CCC(C)C3)cc(Br)c1O
InChIInChI=1S/C26H24BrNO2/c1-3-30-23-14-17(13-20(27)26(23)29)24-19-12-15(2)8-10-21(19)28-22-11-9-16-6-4-5-7-18(16)25(22)24/h4-7,9,11,13-15,29H,3,8,10,12H2,1-2H3
InChIKeyABRCDYSHPWLCIS-UHFFFAOYSA-N
MW462.39 g/mol
LogP7.05
Rot. Bonds3

About 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (PubChem CID 4314975) has the molecular formula C26H24BrNO2 and a molecular weight of 462.39 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
PubChem CID4314975
Molecular FormulaC26H24BrNO2
Molecular Weight462.39 g/mol
Exact Mass461.10
IUPAC Name2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCCOc1cc(-c2c3c(nc4ccc5ccccc5c24)CCC(C)C3)cc(Br)c1O
InChIInChI=1S/C26H24BrNO2/c1-3-30-23-14-17(13-20(27)26(23)29)24-19-12-15(2)8-10-21(19)28-22-11-9-16-6-4-5-7-18(16)25(22)24/h4-7,9,11,13-15,29H,3,8,10,12H2,1-2H3
InChIKeyABRCDYSHPWLCIS-UHFFFAOYSA-N
XLogP7.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.39
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-6-ethoxy-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 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (CID 4314975) is 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is CCOc1cc(-c2c3c(nc4ccc5ccccc5c24)CCC(C)C3)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The InChIKey is ABRCDYSHPWLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrNO2/c1-3-30-23-14-17(13-20(27)26(23)29)24-19-12-15(2)8-10-21(19)28-22-11-9-16-6-4-5-7-18(16)25(22)24/h4-7,9,11,13-15,29H,3,8,10,12H2,1-2H3.
What are the key properties of 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol has a molecular weight of 462.39 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is sourced from PubChem (CID 4314975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).