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

C24H22ClNO — CID 90485336

IUPAC3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride
SMILESCC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1.Cl
InChIInChI=1S/C24H21NO.ClH/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;1H
InChIKeyFOYNLZWELYYBQR-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.31
Rot. Bonds1

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

3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride (PubChem CID 90485336) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride
PubChem CID90485336
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride
SMILESCC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1.Cl
InChIInChI=1S/C24H21NO.ClH/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;1H
InChIKeyFOYNLZWELYYBQR-UHFFFAOYSA-N
XLogP6.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.31
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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Related Compounds

4-[(10S)-10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl]benzene-1,2-diol
CID 1046041
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
4-bromo-2-[(2S)-2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl]phenol
CID 135831041
3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4992007
3-anthracen-9-ylphenol
CID 91210590
12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
CID 135577930
furan;2-methyl-1,2,3,4-tetrahydrochrysene
CID 174285203
3,7-dimethyl-2,4-diphenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine;hydrochloride
CID 43029631
(3S,7R)-3,7-dimethyl-11-(3-methylphenyl)-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinoline
CID 25394406
2,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 58351930
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
CID 149095798

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride?
The IUPAC name of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride (CID 90485336) is 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride?
The canonical SMILES for 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride is CC1CCc2c(nc3ccc4ccccc4c3c2-c2cccc(O)c2)C1.Cl.
What is the InChIKey of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride?
The InChIKey is FOYNLZWELYYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO.ClH/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;1H.
What are the key properties of 3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride?
3-(9-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 6.31, 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;hydrochloride is sourced from PubChem (CID 90485336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).