(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one

C13H16O2 — CID 134993286

IUPAC(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
SMILESC=CC(C)(C)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-13(2,3)12(15)11(14)10-8-6-5-7-9-10/h4-9,12,15H,1H2,2-3H3/t12-/m0/s1
InChIKeyUUUUAFOQWJZZAQ-LBPRGKRZSA-N
MW204.27 g/mol
LogP2.44
Rot. Bonds4

About (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one

(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one (PubChem CID 134993286) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
PubChem CID134993286
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
SMILESC=CC(C)(C)[C@@H](O)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-4-13(2,3)12(15)11(14)10-8-6-5-7-9-10/h4-9,12,15H,1H2,2-3H3/t12-/m0/s1
InChIKeyUUUUAFOQWJZZAQ-LBPRGKRZSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
CID 12688218
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
benzoic acid;ethane;ethene
CID 143334069
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2S,3E)-2-hydroxy-1-phenylhexa-3,5-dien-1-one
CID 100973348
benzoic acid;ethene
CID 160765727
2-benzoyl-3,3-dimethylbutanoic acid
CID 19596612
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one?
The IUPAC name of (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one (CID 134993286) is (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one.
What is the SMILES notation for (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one?
The canonical SMILES for (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one is C=CC(C)(C)[C@@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one?
The InChIKey is UUUUAFOQWJZZAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-13(2,3)12(15)11(14)10-8-6-5-7-9-10/h4-9,12,15H,1H2,2-3H3/t12-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one?
(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one is sourced from PubChem (CID 134993286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).