12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one

C25H21NO2 — CID 135577930

IUPAC12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
SMILESCC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(O)cc2)C1
InChIInChI=1S/C25H21NO2/c1-25(2)13-20-24(21(28)14-25)22(16-7-10-17(27)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)26-20/h3-12,27H,13-14H2,1-2H3
InChIKeyOGKHVHZJDGSAEL-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.92
Rot. Bonds1

About 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one

12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one (PubChem CID 135577930) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one.

Molecular Properties

Compound Name12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
PubChem CID135577930
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
SMILESCC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(O)cc2)C1
InChIInChI=1S/C25H21NO2/c1-25(2)13-20-24(21(28)14-25)22(16-7-10-17(27)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)26-20/h3-12,27H,13-14H2,1-2H3
InChIKeyOGKHVHZJDGSAEL-UHFFFAOYSA-N
XLogP5.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium
CID 10669455
4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)benzenediazonium
CID 10835575
9-(ethylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one;hydrochloride
CID 44668985
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
3,3-dimethyl-2,4-dihydrophenazin-1-one
CID 12676417
2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
CID 778088
5-[4-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)phenyl]phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 3378842
4-(4-chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 53243028
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 73485040
1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 73485056
3,7,7-trimethyl-4-(4-nitrophenyl)-2-phenyl-6,8-dihydroquinolin-5-one
CID 102112501
4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
CID 1046041

Frequently Asked Questions

What is the IUPAC name of 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one?
The IUPAC name of 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one (CID 135577930) is 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one.
What is the SMILES notation for 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one?
The canonical SMILES for 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one is CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(O)cc2)C1.
What is the InChIKey of 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one?
The InChIKey is OGKHVHZJDGSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-25(2)13-20-24(21(28)14-25)22(16-7-10-17(27)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)26-20/h3-12,27H,13-14H2,1-2H3.
What are the key properties of 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one?
12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one has a molecular weight of 367.45 g/mol, XLogP of 5.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one is sourced from PubChem (CID 135577930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).