(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one

C15H16O2 — CID 11148893

IUPAC(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
SMILESC=CC(c1ccccc1)[C@@H]1C[C@@H](O)C=CC1=O
InChIInChI=1S/C15H16O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-9,12-14,16H,1,10H2/t12-,13?,14-/m0/s1
InChIKeyRTLQJCZEXLLNLE-HPNRGHHYSA-N
MW228.29 g/mol
LogP2.46
Rot. Bonds3

About (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one

(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one (PubChem CID 11148893) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
PubChem CID11148893
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
SMILESC=CC(c1ccccc1)[C@@H]1C[C@@H](O)C=CC1=O
InChIInChI=1S/C15H16O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-9,12-14,16H,1,10H2/t12-,13?,14-/m0/s1
InChIKeyRTLQJCZEXLLNLE-HPNRGHHYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.46
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

(2R,4R,6R)-4-hydroxy-2-methoxy-6-(1-phenylprop-2-enyl)cyclohexan-1-one
CID 11448344
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
CID 177443769
CID 177443769
2-(1-phenylprop-2-enyl)thiepan-3-one
CID 14200675
(2S,6S)-2-hydroxy-6-[(1R)-1-phenylethyl]-2H-pyran-5-one
CID 125486133
methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 86090306
(2E)-2-[3-(1-phenylprop-2-enyl)-2,3-dihydrothiochromen-4-ylidene]acetaldehyde
CID 177419162
benzene;1-phenylprop-2-en-1-ol
CID 174884403
tert-butyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 15320734
azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride
CID 173061268
(3S,4S)-3-methyl-4-[(1S)-1-phenylprop-2-enyl]-3-prop-2-enyloxolan-2-one
CID 11402622
penta-1,4-dien-3-ylbenzene
CID 15879286

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one (CID 11148893) is (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one is C=CC(c1ccccc1)[C@@H]1C[C@@H](O)C=CC1=O.
What is the InChIKey of (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one?
The InChIKey is RTLQJCZEXLLNLE-HPNRGHHYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-13(11-6-4-3-5-7-11)14-10-12(16)8-9-15(14)17/h2-9,12-14,16H,1,10H2/t12-,13?,14-/m0/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one?
(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one has a molecular weight of 228.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11148893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).