(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one

C23H30O4 — CID 163100079

IUPAC(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one
SMILESCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCCCc2ccccc2)c1
InChIInChI=1S/C23H30O4/c1-2-7-20(24)17-21(25)13-11-19-12-14-22(26)23(16-19)27-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,14,16,20,24,26H,2,6-7,10-11,13,15,17H2,1H3/t20-/m1/s1
InChIKeyBAPNGZFOSZLAID-HXUWFJFHSA-N
MW370.49 g/mol
LogP4.46
Rot. Bonds12

About (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one

(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one (PubChem CID 163100079) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one
PubChem CID163100079
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one
SMILESCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCCCc2ccccc2)c1
InChIInChI=1S/C23H30O4/c1-2-7-20(24)17-21(25)13-11-19-12-14-22(26)23(16-19)27-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,14,16,20,24,26H,2,6-7,10-11,13,15,17H2,1H3/t20-/m1/s1
InChIKeyBAPNGZFOSZLAID-HXUWFJFHSA-N
XLogP4.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-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

5-hydroxy-1-[4-methoxy-3-(2-phenylethoxy)phenyl]-12-phenyldodecan-3-one
CID 163096577
(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
3-[4-[[4-hydroxy-3-(3-phenylpropoxy)phenyl]methyl]phenyl]propanoic acid
CID 174471594
(5R)-5-hydroxy-1-[4-hydroxy-3-[[3-(2-phenylethyl)-5,6-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl]methoxy]phenyl]decan-3-one
CID 163182042
1-(3,4-dihydroxyphenyl)-5-hydroxytetradecan-3-one
CID 14551432
(5S)-5-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
CID 162980287
(5R)-1-[3-(aminomethoxy)-4-hydroxyphenyl]-7-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxyheptan-3-one
CID 163012229
(5S,10S)-1-(3,4-dimethoxyphenyl)-5-hydroxy-10-(hydroxymethyl)-12-phenyldodecan-3-one
CID 162896568
1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-one
CID 13347317
ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
CID 175608112
(5R)-1-[3-(aminomethoxy)-4-hydroxyphenyl]-7-[3,4-dihydroxy-5-[(3-hydroxyphenyl)methoxy]phenyl]-5-hydroxyheptan-3-one
CID 162984829
(5R)-7-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-1-[4-hydroxy-3-(methylaminomethoxy)phenyl]heptan-3-one
CID 162837321

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one?
The IUPAC name of (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one (CID 163100079) is (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one.
What is the SMILES notation for (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one?
The canonical SMILES for (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one is CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCCCc2ccccc2)c1.
What is the InChIKey of (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one?
The InChIKey is BAPNGZFOSZLAID-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30O4/c1-2-7-20(24)17-21(25)13-11-19-12-14-22(26)23(16-19)27-15-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,14,16,20,24,26H,2,6-7,10-11,13,15,17H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one?
(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one has a molecular weight of 370.49 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one is sourced from PubChem (CID 163100079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).