2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

C17H26O4 — CID 11989921

IUPAC2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
SMILESCCCCCCCC(=O)C(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-14(18)16(20)11-13-9-10-15(19)17(12-13)21-2/h9-10,12,16,19-20H,3-8,11H2,1-2H3
InChIKeyWAOPNUDHIUHIMV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.23
Rot. Bonds10

About 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one (PubChem CID 11989921) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
PubChem CID11989921
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
SMILESCCCCCCCC(=O)C(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-14(18)16(20)11-13-9-10-15(19)17(12-13)21-2/h9-10,12,16,19-20H,3-8,11H2,1-2H3
InChIKeyWAOPNUDHIUHIMV-UHFFFAOYSA-N
XLogP3.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one
CID 175348334
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
CID 11989799
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
(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
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
(E,6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
CID 163096599
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one?
The IUPAC name of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one (CID 11989921) is 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one.
What is the SMILES notation for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one?
The canonical SMILES for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one is CCCCCCCC(=O)C(O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one?
The InChIKey is WAOPNUDHIUHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-4-5-6-7-8-14(18)16(20)11-13-9-10-15(19)17(12-13)21-2/h9-10,12,16,19-20H,3-8,11H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one?
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one has a molecular weight of 294.39 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one is sourced from PubChem (CID 11989921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).