(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol

C19H21NO — CID 122377427

IUPAC(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol
SMILESCC1(C)c2cccc(O)c2N[C@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C19H21NO/c1-19(2)14-8-5-9-16(21)18(14)20-17-13-7-4-3-6-12(13)10-11-15(17)19/h3-9,15,17,20-21H,10-11H2,1-2H3/t15-,17+/m1/s1
InChIKeyQEVXGVPORFEFGA-WBVHZDCISA-N
MW279.38 g/mol
LogP4.40
Rot. Bonds

About (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol

(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol (PubChem CID 122377427) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol.

Molecular Properties

Compound Name(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol
PubChem CID122377427
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol
SMILESCC1(C)c2cccc(O)c2N[C@H]2c3ccccc3CC[C@H]21
InChIInChI=1S/C19H21NO/c1-19(2)14-8-5-9-16(21)18(14)20-17-13-7-4-3-6-12(13)10-11-15(17)19/h3-9,15,17,20-21H,10-11H2,1-2H3/t15-,17+/m1/s1
InChIKeyQEVXGVPORFEFGA-WBVHZDCISA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
CID 15360241
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene
CID 91347500
1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 12621746
(8R,9S,13S,14S,16R,17S)-16-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 125471674
(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
CID 173440589
dimethyl 1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene-1,1-dicarboxylate
CID 135044942
1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
CID 141193933
1-(2,3-dihydro-1H-inden-1-yl)-2-methylcyclopropan-1-amine
CID 79333614
(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
CID 130981221
3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250

Frequently Asked Questions

What is the IUPAC name of (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol?
The IUPAC name of (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol (CID 122377427) is (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol.
What is the SMILES notation for (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol?
The canonical SMILES for (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol is CC1(C)c2cccc(O)c2N[C@H]2c3ccccc3CC[C@H]21.
What is the InChIKey of (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol?
The InChIKey is QEVXGVPORFEFGA-WBVHZDCISA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2)14-8-5-9-16(21)18(14)20-17-13-7-4-3-6-12(13)10-11-15(17)19/h3-9,15,17,20-21H,10-11H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol?
(6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol has a molecular weight of 279.38 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12aR)-7,7-dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-11-ol is sourced from PubChem (CID 122377427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).