1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione

C19H29NO4 — CID 163077627

IUPAC1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione
SMILESCCCCCC(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-4-5-6-7-16(21)12-17(22)9-8-14-10-15(13-20-2)19(23)18(11-14)24-3/h10-11,20,23H,4-9,12-13H2,1-3H3
InChIKeyGJJJOQOTMBDIPP-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.16
Rot. Bonds12

About 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione

1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione (PubChem CID 163077627) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione.

Molecular Properties

Compound Name1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione
PubChem CID163077627
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione
SMILESCCCCCC(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-4-5-6-7-16(21)12-17(22)9-8-14-10-15(13-20-2)19(23)18(11-14)24-3/h10-11,20,23H,4-9,12-13H2,1-3H3
InChIKeyGJJJOQOTMBDIPP-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione 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

2,6-dimethoxy-4-pentylphenol
CID 22625510
2-(methylaminomethyl)-4,6-di(nonyl)phenol
CID 23346792
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
5-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]-1-[(4S,5R)-4-[4-(3-hydroxyphenyl)butyl]-4,5-dihydro-1H-indol-5-yl]pentane-1,3-dione
CID 162794820
[1-[4-hydroxy-5-methoxy-2-(methylaminomethyl)phenyl]-3-oxodecan-5-yl] acetate
CID 163097670
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
CID 117300165
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694
2-methoxy-4,6-bis(octylsulfanylmethyl)phenol
CID 156698134

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione?
The IUPAC name of 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione (CID 163077627) is 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione.
What is the SMILES notation for 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione?
The canonical SMILES for 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione is CCCCCC(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1.
What is the InChIKey of 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione?
The InChIKey is GJJJOQOTMBDIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-5-6-7-16(21)12-17(22)9-8-14-10-15(13-20-2)19(23)18(11-14)24-3/h10-11,20,23H,4-9,12-13H2,1-3H3.
What are the key properties of 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione?
1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione has a molecular weight of 335.44 g/mol, XLogP of 3.16, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-methoxy-5-(methylaminomethyl)phenyl]decane-3,5-dione is sourced from PubChem (CID 163077627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).