2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol

C24H21NO — CID 1205275

IUPAC2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol
SMILESC[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccccc3O)c2C1
InChIInChI=1S/C24H21NO/c1-15-10-12-20-19(14-15)23(18-8-4-5-9-22(18)26)24-17-7-3-2-6-16(17)11-13-21(24)25-20/h2-9,11,13,15,26H,10,12,14H2,1H3/t15-/m0/s1
InChIKeyFASRGQOETOYVRA-HNNXBMFYSA-N
MW339.44 g/mol
LogP5.89
Rot. Bonds1

About 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol

2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol (PubChem CID 1205275) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol.

Molecular Properties

Compound Name2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol
PubChem CID1205275
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol
SMILESC[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccccc3O)c2C1
InChIInChI=1S/C24H21NO/c1-15-10-12-20-19(14-15)23(18-8-4-5-9-22(18)26)24-17-7-3-2-6-16(17)11-13-21(24)25-20/h2-9,11,13,15,26H,10,12,14H2,1H3/t15-/m0/s1
InChIKeyFASRGQOETOYVRA-HNNXBMFYSA-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 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol with MolForge

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Related Compounds

4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
CID 1046041
2-bromo-6-ethoxy-4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol
CID 4314975
3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride
CID 90485336
4-bromo-2-[(2S)-2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl]phenol
CID 135831041
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2469012
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380223
(2-oxooxolan-3-yl) 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3610287
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
2-chloro-4-(2-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102548952

Frequently Asked Questions

What is the IUPAC name of 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol?
The IUPAC name of 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol (CID 1205275) is 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol.
What is the SMILES notation for 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol?
The canonical SMILES for 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol is C[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccccc3O)c2C1.
What is the InChIKey of 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol?
The InChIKey is FASRGQOETOYVRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21NO/c1-15-10-12-20-19(14-15)23(18-8-4-5-9-22(18)26)24-17-7-3-2-6-16(17)11-13-21(24)25-20/h2-9,11,13,15,26H,10,12,14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol?
2-[(10S)-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 2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol is sourced from PubChem (CID 1205275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).