N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide

C23H25NO7 — CID 162671670

IUPACN-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide
SMILESO=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C23H25NO7/c25-16-9-7-15(8-10-16)20-14-19(27)23-18(26)12-17(13-21(23)31-20)30-11-5-3-1-2-4-6-22(28)24-29/h7-10,12-14,25-26,29H,1-6,11H2,(H,24,28)
InChIKeyXKPRVBKVUPMDEX-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.10
Rot. Bonds10

About N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide

N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide (PubChem CID 162671670) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide.

Molecular Properties

Compound NameN-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide
PubChem CID162671670
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC NameN-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide
SMILESO=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO
InChIInChI=1S/C23H25NO7/c25-16-9-7-15(8-10-16)20-14-19(27)23-18(26)12-17(13-21(23)31-20)30-11-5-3-1-2-4-6-22(28)24-29/h7-10,12-14,25-26,29H,1-6,11H2,(H,24,28)
InChIKeyXKPRVBKVUPMDEX-UHFFFAOYSA-N
XLogP4.10
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Genistein
CID 5280961
Octabenzone
CID 15797
Apigenin
CID 5280443
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Galangin
CID 5281616
Biochanin A
CID 5280373
Liquiritigenin
CID 114829
(+)-Pinocembrin
CID 68071

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide?
The IUPAC name of N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide (CID 162671670) is N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide.
What is the SMILES notation for N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide?
The canonical SMILES for N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide is O=C(CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide?
The InChIKey is XKPRVBKVUPMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7/c25-16-9-7-15(8-10-16)20-14-19(27)23-18(26)12-17(13-21(23)31-20)30-11-5-3-1-2-4-6-22(28)24-29/h7-10,12-14,25-26,29H,1-6,11H2,(H,24,28).
What are the key properties of N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide?
N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide has a molecular weight of 427.45 g/mol, XLogP of 4.10, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoctanamide is sourced from PubChem (CID 162671670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).