(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione

C15H18O2 — CID 101163136

IUPAC(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
SMILESC=CC[C@@H](C(=O)c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C15H18O2/c1-4-8-13(14(16)11(2)3)15(17)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyKOFHBWLRRDODSU-CYBMUJFWSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds6

About (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione

(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione (PubChem CID 101163136) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione.

Molecular Properties

Compound Name(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
PubChem CID101163136
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
SMILESC=CC[C@@H](C(=O)c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C15H18O2/c1-4-8-13(14(16)11(2)3)15(17)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyKOFHBWLRRDODSU-CYBMUJFWSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-2-benzoylpent-4-enamide
CID 177487676
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
3-propan-2-yloxycarbonylhex-5-en-2-yl benzoate
CID 69305019
[(1Z)-3-benzoyl-1-(furan-2-yl)hexa-1,5-dien-2-yl] acetate
CID 102390026
4,6-dimethylnona-1,8-dien-5-one;styrene
CID 66739341
2-(methylsulfanylmethyl)-1,3-diphenylpropane-1,3-dione
CID 12815430
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475
N-(1-methoxybut-3-enyl)benzamide
CID 3700027

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione?
The IUPAC name of (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione (CID 101163136) is (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione.
What is the SMILES notation for (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione?
The canonical SMILES for (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione is C=CC[C@@H](C(=O)c1ccccc1)C(=O)C(C)C.
What is the InChIKey of (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione?
The InChIKey is KOFHBWLRRDODSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-8-13(14(16)11(2)3)15(17)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione?
(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione has a molecular weight of 230.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione is sourced from PubChem (CID 101163136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).