3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol

C22H20NO+ — CID 154709083

IUPAC3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
SMILESCc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(O)c1
InChIInChI=1S/C22H19NO/c1-14-12-15(2)21(20(24)13-14)22-16-8-4-6-10-18(16)23(3)19-11-7-5-9-17(19)22/h4-13H,1-3H3/p+1
InChIKeyYFHQEALIJKWJDG-UHFFFAOYSA-O
MW314.41 g/mol
LogP4.81
Rot. Bonds1

About 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol

3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol (PubChem CID 154709083) has the molecular formula C22H20NO+ and a molecular weight of 314.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
PubChem CID154709083
Molecular FormulaC22H20NO+
Molecular Weight314.41 g/mol
Exact Mass314.15
IUPAC Name3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
SMILESCc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(O)c1
InChIInChI=1S/C22H19NO/c1-14-12-15(2)21(20(24)13-14)22-16-8-4-6-10-18(16)23(3)19-11-7-5-9-17(19)22/h4-13H,1-3H3/p+1
InChIKeyYFHQEALIJKWJDG-UHFFFAOYSA-O
XLogP4.81
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,7-dibromo-10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
CID 146013141
1,3,10-trimethylacridin-10-ium-9-carboxylate
CID 23057245
10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
CID 74766000
2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
CID 102409883
5-(diethylamino)-2-(10-methylacridin-10-ium-9-yl)phenol bromide
CID 87526326
9-acridin-10-ium-9-yl-10-methylacridin-10-ium
CID 143723740
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
CID 166439956
5,7-dimethylnaphthalen-1-ol
CID 599056
2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
CID 129115928
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol?
The IUPAC name of 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol (CID 154709083) is 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol.
What is the SMILES notation for 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol?
The canonical SMILES for 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol is Cc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol?
The InChIKey is YFHQEALIJKWJDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19NO/c1-14-12-15(2)21(20(24)13-14)22-16-8-4-6-10-18(16)23(3)19-11-7-5-9-17(19)22/h4-13H,1-3H3/p+1.
What are the key properties of 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol?
3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol has a molecular weight of 314.41 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol is sourced from PubChem (CID 154709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).