11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one

C23H30O5 — CID 11234557

IUPAC11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
SMILESO=C(CCCCCCCCCCc1ccccc1O)c1c(O)cc(O)cc1O
InChIInChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2
InChIKeyKRAWWRGYJVWEDK-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.45
Rot. Bonds12

About 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one

11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one (PubChem CID 11234557) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one.

Molecular Properties

Compound Name11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
PubChem CID11234557
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
SMILESO=C(CCCCCCCCCCc1ccccc1O)c1c(O)cc(O)cc1O
InChIInChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2
InChIKeyKRAWWRGYJVWEDK-UHFFFAOYSA-N
XLogP5.45
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-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

16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-(3,5-dihydroxy-2-octanoylphenyl)acetic acid
CID 10589878
5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
CID 139309701
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
1-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-2,6-dihydroxyphenyl]-9-phenylnonan-1-one
CID 127052219
2-dodecylphenol
CID 160834917
2-(12-phenyldodecyl)phenol
CID 70505621
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
formaldehyde;2-octadecylphenol
CID 67830879

Frequently Asked Questions

What is the IUPAC name of 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one?
The IUPAC name of 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one (CID 11234557) is 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one.
What is the SMILES notation for 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one?
The canonical SMILES for 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one is O=C(CCCCCCCCCCc1ccccc1O)c1c(O)cc(O)cc1O.
What is the InChIKey of 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one?
The InChIKey is KRAWWRGYJVWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2.
What are the key properties of 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one?
11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one has a molecular weight of 386.49 g/mol, XLogP of 5.45, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one is sourced from PubChem (CID 11234557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).