9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C26H32ClNO4 — CID 1208698

IUPAC9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O
InChIInChI=1S/C26H32ClNO4/c1-7-32-20-9-14(8-15(27)24(20)31)21-22-16(10-25(2,3)12-18(22)29)28(6)17-11-26(4,5)13-19(30)23(17)21/h8-9,21,31H,7,10-13H2,1-6H3
InChIKeyUDRVBBMMTVUYNQ-UHFFFAOYSA-N
MW458.00 g/mol
LogP5.76
Rot. Bonds3

About 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 1208698) has the molecular formula C26H32ClNO4 and a molecular weight of 458.00 g/mol. Its IUPAC name is 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID1208698
Molecular FormulaC26H32ClNO4
Molecular Weight458.00 g/mol
Exact Mass457.20
IUPAC Name9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O
InChIInChI=1S/C26H32ClNO4/c1-7-32-20-9-14(8-15(27)24(20)31)21-22-16(10-25(2,3)12-18(22)29)28(6)17-11-26(4,5)13-19(30)23(17)21/h8-9,21,31H,7,10-13H2,1-6H3
InChIKeyUDRVBBMMTVUYNQ-UHFFFAOYSA-N
XLogP5.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.00
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 647395
2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126229963
9-(3,5-dichloro-4-prop-2-enoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053784
2-[2-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetic acid
CID 126056686
2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetic acid
CID 126079602
methyl (4S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1017261
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126039410
(4R)-2-amino-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 51851926
3-[9-(3-chloro-4-ethoxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126081216
2-propoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2872553
9-(2-ethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072569
2-[2-chloro-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126077315

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 1208698) is 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O.
What is the InChIKey of 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is UDRVBBMMTVUYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO4/c1-7-32-20-9-14(8-15(27)24(20)31)21-22-16(10-25(2,3)12-18(22)29)28(6)17-11-26(4,5)13-19(30)23(17)21/h8-9,21,31H,7,10-13H2,1-6H3.
What are the key properties of 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 458.00 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1208698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).