N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide

C21H21NO6 — CID 162662637

IUPACN-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C21H21NO6/c23-16-11-15(27-10-6-2-5-9-20(25)22-26)12-19-21(16)17(24)13-18(28-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,23,26H,2,5-6,9-10H2,(H,22,25)
InChIKeyFFQDOOWUMRILBI-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.61
Rot. Bonds8

About N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide

N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide (PubChem CID 162662637) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide
PubChem CID162662637
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide
SMILESO=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO
InChIInChI=1S/C21H21NO6/c23-16-11-15(27-10-6-2-5-9-20(25)22-26)12-19-21(16)17(24)13-18(28-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,23,26H,2,5-6,9-10H2,(H,22,25)
InChIKeyFFQDOOWUMRILBI-UHFFFAOYSA-N
XLogP3.61
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide?
The IUPAC name of N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide (CID 162662637) is N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide.
What is the SMILES notation for N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide?
The canonical SMILES for N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide is O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide?
The InChIKey is FFQDOOWUMRILBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c23-16-11-15(27-10-6-2-5-9-20(25)22-26)12-19-21(16)17(24)13-18(28-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,23,26H,2,5-6,9-10H2,(H,22,25).
What are the key properties of N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide?
N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide has a molecular weight of 383.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexanamide is sourced from PubChem (CID 162662637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).