2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid

C21H21NO5 — CID 1080337

IUPAC2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C21H21NO5/c23-16-5-1-3-14-20(16)19(21-15(22-14)4-2-6-17(21)24)12-7-9-13(10-8-12)27-11-18(25)26/h7-10,19,22H,1-6,11H2,(H,25,26)
InChIKeyATJKAXIMFPQONH-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid

2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid (PubChem CID 1080337) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
PubChem CID1080337
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C21H21NO5/c23-16-5-1-3-14-20(16)19(21-15(22-14)4-2-6-17(21)24)12-7-9-13(10-8-12)27-11-18(25)26/h7-10,19,22H,1-6,11H2,(H,25,26)
InChIKeyATJKAXIMFPQONH-UHFFFAOYSA-N
XLogP2.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid with MolForge

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Related Compounds

9-[4-[(4-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 5104099
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23248494
2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126228292
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 1089237
3-acetyl-4-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955184
2-[2,6-dibromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
CID 126232145
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetamide
CID 126228400
2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126267574
2-[2,6-dibromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-phenylacetamide
CID 126266792
N-(4-fluorophenyl)-2-[4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 3499493

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid (CID 1080337) is 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid is O=C(O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid?
The InChIKey is ATJKAXIMFPQONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c23-16-5-1-3-14-20(16)19(21-15(22-14)4-2-6-17(21)24)12-7-9-13(10-8-12)27-11-18(25)26/h7-10,19,22H,1-6,11H2,(H,25,26).
What are the key properties of 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid?
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid has a molecular weight of 367.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid is sourced from PubChem (CID 1080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).