(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine

C24H33NO2 — CID 158485685

IUPAC(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O2.C10H21N/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11;1-8-6-9(2,3)11-10(4,5)7-8/h2-9,15H,1H3;8,11H,6-7H2,1-5H3
InChIKeyHIBLTFBYWGMUQQ-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.49
Rot. Bonds2

About (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine

(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine (PubChem CID 158485685) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine
PubChem CID158485685
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)NC(C)(C)C1.Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O2.C10H21N/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11;1-8-6-9(2,3)11-10(4,5)7-8/h2-9,15H,1H3;8,11H,6-7H2,1-5H3
InChIKeyHIBLTFBYWGMUQQ-UHFFFAOYSA-N
XLogP5.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine (CID 158485685) is (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)NC(C)(C)C1.Cc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is HIBLTFBYWGMUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C10H21N/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11;1-8-6-9(2,3)11-10(4,5)7-8/h2-9,15H,1H3;8,11H,6-7H2,1-5H3.
What are the key properties of (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine?
(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 367.53 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 158485685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).