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

C15H16O2 — CID 162920647

IUPAC(4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one
SMILESC=C[C@H](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-MJBXVCDLSA-N
MW228.29 g/mol
LogP2.46
Rot. Bonds3

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

(4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one (PubChem CID 162920647) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one
PubChem CID162920647
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one
SMILESC=C[C@H](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-MJBXVCDLSA-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'}

Analyze (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
3-Hydroxy-5-phenylcyclohex-2-en-1-one
CID 3258759
(4R,6S)-4-Hydroxy-6-(1-Phenylallyl)Cyclohex-2-Enone
CID 11148893
Propolis neoflavonoid 2
CID 11183777
2-(1-Hydroxyethyl)naphthalene-1,4-dione
CID 11481099
(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
CID 24755150
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one
CID 11208265
5-Hydroxy-1,5-diphenyl-1-penten-3-one
CID 11736860
2-(1-Hydroxy-3-phenylpropyl)naphthalene-1,4-dione
CID 71652350
5-(Hydroxy-phenyl-methyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 22605977
2-(1-Hydroxyprop-2-enyl)naphthalene-1,4-dione
CID 24799947

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one (CID 162920647) is (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one is C=C[C@H](c1ccccc1)[C@@H]1C[C@@H](O)C=CC1=O.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one?
The InChIKey is RTLQJCZEXLLNLE-MJBXVCDLSA-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-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one?
(4R,6S)-4-hydroxy-6-[(1S)-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-[(1S)-1-phenylprop-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 162920647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).