(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one

C17H24O4 — CID 162944026

IUPAC(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
SMILESCCCC[C@@H](O)C=CC(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/t14-/m1/s1
InChIKeySEWFXECKZBLANJ-CQSZACIVSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds9

About (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one

(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one (PubChem CID 162944026) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one.

Molecular Properties

Compound Name(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
PubChem CID162944026
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
SMILESCCCC[C@@H](O)C=CC(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/t14-/m1/s1
InChIKeySEWFXECKZBLANJ-CQSZACIVSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-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

(E,6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
CID 163096599
(6S)-6-butyl-1-(4-hydroxy-3-methoxyphenyl)-9-methyldec-4-en-3-one
CID 162992175
(E)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 10130870
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
(E)-1-(3,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pent-1-en-3-one
CID 71681706
1-(4-hydroxy-3-methoxyphenyl)-5-methoxydodecan-3-one
CID 86067818
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-[(E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hept-3-enyl]-2-methoxyphenol
CID 45276601
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 5318568

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The IUPAC name of (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one (CID 162944026) is (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one.
What is the SMILES notation for (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The canonical SMILES for (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one is CCCC[C@@H](O)C=CC(=O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
The InChIKey is SEWFXECKZBLANJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one?
(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one has a molecular weight of 292.38 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one is sourced from PubChem (CID 162944026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).