4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol

C24H21NO2 — CID 1046041

IUPAC4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
SMILESC[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)c(O)c3)c2C1
InChIInChI=1S/C24H21NO2/c1-14-6-9-19-18(12-14)23(16-8-11-21(26)22(27)13-16)24-17-5-3-2-4-15(17)7-10-20(24)25-19/h2-5,7-8,10-11,13-14,26-27H,6,9,12H2,1H3/t14-/m0/s1
InChIKeyCVJGESOJVBNSES-AWEZNQCLSA-N
MW355.44 g/mol
LogP5.59
Rot. Bonds1

About 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol

4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol (PubChem CID 1046041) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
PubChem CID1046041
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
SMILESC[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)c(O)c3)c2C1
InChIInChI=1S/C24H21NO2/c1-14-6-9-19-18(12-14)23(16-8-11-21(26)22(27)13-16)24-17-5-3-2-4-15(17)7-10-20(24)25-19/h2-5,7-8,10-11,13-14,26-27H,6,9,12H2,1H3/t14-/m0/s1
InChIKeyCVJGESOJVBNSES-AWEZNQCLSA-N
XLogP5.59
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol with MolForge

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Related Compounds

2-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]phenol
CID 1205275
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
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 865217
12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
CID 135577930
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380223
2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 110532509
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798

Frequently Asked Questions

What is the IUPAC name of 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol?
The IUPAC name of 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol (CID 1046041) is 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol?
The canonical SMILES for 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol is C[C@H]1CCc2nc3ccc4ccccc4c3c(-c3ccc(O)c(O)c3)c2C1.
What is the InChIKey of 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol?
The InChIKey is CVJGESOJVBNSES-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H21NO2/c1-14-6-9-19-18(12-14)23(16-8-11-21(26)22(27)13-16)24-17-5-3-2-4-15(17)7-10-20(24)25-19/h2-5,7-8,10-11,13-14,26-27H,6,9,12H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol?
4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol has a molecular weight of 355.44 g/mol, XLogP of 5.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol is sourced from PubChem (CID 1046041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).