3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

C24H21NO — CID 3272558

IUPAC3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1
InChIInChI=1S/C24H21NO/c1-15-9-11-20-22(13-15)25-21-12-10-16-5-2-3-8-19(16)24(21)23(20)17-6-4-7-18(26)14-17/h2-8,10,12,14-15,26H,9,11,13H2,1H3
InChIKeyQVNOWAFPHUBVIL-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.89
Rot. Bonds1

About 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol

3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (PubChem CID 3272558) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.

Molecular Properties

Compound Name3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
PubChem CID3272558
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
SMILESCC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1
InChIInChI=1S/C24H21NO/c1-15-9-11-20-22(13-15)25-21-12-10-16-5-2-3-8-19(16)24(21)23(20)17-6-4-7-18(26)14-17/h2-8,10,12,14-15,26H,9,11,13H2,1H3
InChIKeyQVNOWAFPHUBVIL-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The IUPAC name of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol (CID 3272558) is 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol.
What is the SMILES notation for 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The canonical SMILES for 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is CC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1.
What is the InChIKey of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
The InChIKey is QVNOWAFPHUBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-15-9-11-20-22(13-15)25-21-12-10-16-5-2-3-8-19(16)24(21)23(20)17-6-4-7-18(26)14-17/h2-8,10,12,14-15,26H,9,11,13H2,1H3.
What are the key properties of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol?
3-(9-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 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol is sourced from PubChem (CID 3272558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).