4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one

C22H19NO3 — CID 71571229

IUPAC4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one
SMILESCOc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1O
InChIInChI=1S/C22H19NO3/c1-26-20-12-10-14(13-19(20)24)9-11-15-5-4-7-17-21(15)23-18-8-3-2-6-16(18)22(17)25/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25)
InChIKeyDFSYSXZNFNWXSD-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.18
Rot. Bonds4

About 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one

4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one (PubChem CID 71571229) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one.

Molecular Properties

Compound Name4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one
PubChem CID71571229
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one
SMILESCOc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1O
InChIInChI=1S/C22H19NO3/c1-26-20-12-10-14(13-19(20)24)9-11-15-5-4-7-17-21(15)23-18-8-3-2-6-16(18)22(17)25/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25)
InChIKeyDFSYSXZNFNWXSD-UHFFFAOYSA-N
XLogP4.18
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587
N-[4-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 67692252
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436
4-[4-[(3-hydroxy-4-methoxyphenyl)methoxy]-3,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one
CID 176895350
N-[4-[4-[(3,4-dimethoxyphenyl)methyl-methylamino]butyl]phenyl]-9-oxo-10H-acridine-4-carboxamide;oxalic acid
CID 162331024
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide
CID 67692141
1-ethyl-6,7-dimethoxy-9H-carbazole
CID 23270445
1,8-dihydroxy-4-methoxy-10H-acridin-9-one
CID 46856149
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
CID 6324316
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one?
The IUPAC name of 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one (CID 71571229) is 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one.
What is the SMILES notation for 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one?
The canonical SMILES for 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one is COc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1O.
What is the InChIKey of 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one?
The InChIKey is DFSYSXZNFNWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-26-20-12-10-14(13-19(20)24)9-11-15-5-4-7-17-21(15)23-18-8-3-2-6-16(18)22(17)25/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25).
What are the key properties of 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one?
4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one has a molecular weight of 345.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one is sourced from PubChem (CID 71571229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).