8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid

C23H24O6 — CID 172994915

IUPAC8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C23H24O6/c24-18-13-17(28-12-8-3-1-2-7-11-22(26)27)14-21-23(18)19(25)15-20(29-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,24H,1-3,7-8,11-12H2,(H,26,27)
InChIKeyRYDUQXZXTSTUCG-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.97
Rot. Bonds10

About 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid

8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid (PubChem CID 172994915) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid.

Molecular Properties

Compound Name8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
PubChem CID172994915
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C23H24O6/c24-18-13-17(28-12-8-3-1-2-7-11-22(26)27)14-21-23(18)19(25)15-20(29-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,24H,1-3,7-8,11-12H2,(H,26,27)
InChIKeyRYDUQXZXTSTUCG-UHFFFAOYSA-N
XLogP4.97
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid 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

7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxymethyl 5-nitrooxypentanoate
CID 46887221
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
CID 68755771
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;octadecanoic acid
CID 25173870
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073

Frequently Asked Questions

What is the IUPAC name of 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid?
The IUPAC name of 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid (CID 172994915) is 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid.
What is the SMILES notation for 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid?
The canonical SMILES for 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid is O=C(O)CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid?
The InChIKey is RYDUQXZXTSTUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c24-18-13-17(28-12-8-3-1-2-7-11-22(26)27)14-21-23(18)19(25)15-20(29-21)16-9-5-4-6-10-16/h4-6,9-10,13-15,24H,1-3,7-8,11-12H2,(H,26,27).
What are the key properties of 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid?
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid has a molecular weight of 396.44 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid is sourced from PubChem (CID 172994915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).