(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one

C16H22O3 — CID 135014214

IUPAC(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one
SMILESCC1(C)CC(=O)[C@H]([C@H](O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C16H22O3/c1-15(2)10-12(17)13(16(3,4)19-15)14(18)11-8-6-5-7-9-11/h5-9,13-14,18H,10H2,1-4H3/t13-,14-/m1/s1
InChIKeyDLDLVEUZSVQONF-ZIAGYGMSSA-N
MW262.35 g/mol
LogP2.88
Rot. Bonds2

About (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one

(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one (PubChem CID 135014214) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one.

Molecular Properties

Compound Name(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one
PubChem CID135014214
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one
SMILESCC1(C)CC(=O)[C@H]([C@H](O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C16H22O3/c1-15(2)10-12(17)13(16(3,4)19-15)14(18)11-8-6-5-7-9-11/h5-9,13-14,18H,10H2,1-4H3/t13-,14-/m1/s1
InChIKeyDLDLVEUZSVQONF-ZIAGYGMSSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(S)-hydroxy(phenyl)methyl]-4,4-dimethylcyclohexan-1-one
CID 102156460
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
CID 129440737
methyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-2-methyloxirane-2-carboxylate
CID 139260373
(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
CID 2882767
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
(5S,7Z)-5-[(R)-hydroxy(phenyl)methyl]-8-methyl-2,3-dihydro-1,4-dioxocin-6-one
CID 11195983
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
CID 134943158
2,6-bis[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 10853441

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one?
The IUPAC name of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one (CID 135014214) is (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one.
What is the SMILES notation for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one?
The canonical SMILES for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one is CC1(C)CC(=O)[C@H]([C@H](O)c2ccccc2)C(C)(C)O1.
What is the InChIKey of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one?
The InChIKey is DLDLVEUZSVQONF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2)10-12(17)13(16(3,4)19-15)14(18)11-8-6-5-7-9-11/h5-9,13-14,18H,10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one?
(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one is sourced from PubChem (CID 135014214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).