1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone

C23H25NO3 — CID 3452234

IUPAC1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C23H25NO3/c1-15(25)20-19(24-18-12-8-5-9-13-18)14-23(3,27)22(16(2)26)21(20)17-10-6-4-7-11-17/h4-13,21-22,24,27H,14H2,1-3H3
InChIKeyFEAUWCGFLYHOEV-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.09
Rot. Bonds5

About 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone

1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone (PubChem CID 3452234) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
PubChem CID3452234
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C23H25NO3/c1-15(25)20-19(24-18-12-8-5-9-13-18)14-23(3,27)22(16(2)26)21(20)17-10-6-4-7-11-17/h4-13,21-22,24,27H,14H2,1-3H3
InChIKeyFEAUWCGFLYHOEV-UHFFFAOYSA-N
XLogP4.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone (CID 3452234) is 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone is CC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccccc1.
What is the InChIKey of 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone?
The InChIKey is FEAUWCGFLYHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15(25)20-19(24-18-12-8-5-9-13-18)14-23(3,27)22(16(2)26)21(20)17-10-6-4-7-11-17/h4-13,21-22,24,27H,14H2,1-3H3.
What are the key properties of 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone?
1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 3452234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).