10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one

C24H27NO3 — CID 155351577

IUPAC10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one
SMILESCOc1ccc2c(c1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2)14-20-23(21(27)15-24)22(16-7-5-4-6-8-16)18-10-9-17(28-3)13-19(18)25(20)11-12-26/h4-10,13,22,26H,11-12,14-15H2,1-3H3
InChIKeyHVVLILDIMYYBCY-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.28
Rot. Bonds4

About 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one

10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one (PubChem CID 155351577) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one
PubChem CID155351577
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one
SMILESCOc1ccc2c(c1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1
InChIInChI=1S/C24H27NO3/c1-24(2)14-20-23(21(27)15-24)22(16-7-5-4-6-8-16)18-10-9-17(28-3)13-19(18)25(20)11-12-26/h4-10,13,22,26H,11-12,14-15H2,1-3H3
InChIKeyHVVLILDIMYYBCY-UHFFFAOYSA-N
XLogP4.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one?
The IUPAC name of 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one (CID 155351577) is 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one.
What is the SMILES notation for 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one?
The canonical SMILES for 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one is COc1ccc2c(c1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1.
What is the InChIKey of 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one?
The InChIKey is HVVLILDIMYYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2)14-20-23(21(27)15-24)22(16-7-5-4-6-8-16)18-10-9-17(28-3)13-19(18)25(20)11-12-26/h4-10,13,22,26H,11-12,14-15H2,1-3H3.
What are the key properties of 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one?
10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one has a molecular weight of 377.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethyl)-6-methoxy-3,3-dimethyl-9-phenyl-4,9-dihydro-2H-acridin-1-one is sourced from PubChem (CID 155351577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).