1-(3,4,5-trihydroxyphenyl)nonan-1-one

C15H22O4 — CID 3063200

IUPAC1-(3,4,5-trihydroxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
InChIKeyNVFRHTFJDGAFQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.74
Rot. Bonds8

About 1-(3,4,5-trihydroxyphenyl)nonan-1-one

1-(3,4,5-trihydroxyphenyl)nonan-1-one (PubChem CID 3063200) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4,5-trihydroxyphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(3,4,5-trihydroxyphenyl)nonan-1-one
PubChem CID3063200
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(3,4,5-trihydroxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
InChIKeyNVFRHTFJDGAFQS-UHFFFAOYSA-N
XLogP3.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3,4,5-trihydroxyphenyl)nonan-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

1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(3,5-dibromo-4-hydroxyphenyl)hexan-1-one
CID 21284639
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
4-decanoyl-2-hydroxybenzoic acid
CID 139775580
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(4-amino-3,5-dimethylphenyl)octan-1-one
CID 59815155
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
1-(4-bromo-3,5-dimethylphenyl)decan-1-one
CID 114329661
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trihydroxyphenyl)nonan-1-one?
The IUPAC name of 1-(3,4,5-trihydroxyphenyl)nonan-1-one (CID 3063200) is 1-(3,4,5-trihydroxyphenyl)nonan-1-one.
What is the SMILES notation for 1-(3,4,5-trihydroxyphenyl)nonan-1-one?
The canonical SMILES for 1-(3,4,5-trihydroxyphenyl)nonan-1-one is CCCCCCCCC(=O)c1cc(O)c(O)c(O)c1.
What is the InChIKey of 1-(3,4,5-trihydroxyphenyl)nonan-1-one?
The InChIKey is NVFRHTFJDGAFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3.
What are the key properties of 1-(3,4,5-trihydroxyphenyl)nonan-1-one?
1-(3,4,5-trihydroxyphenyl)nonan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trihydroxyphenyl)nonan-1-one is sourced from PubChem (CID 3063200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).