4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one

C24H26O4 — CID 87377269

IUPAC4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one
SMILESCCCCCC(CC(C)=O)(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H26O4/c1-3-4-10-15-24(16-17(2)25,18-11-6-5-7-12-18)21-22(26)19-13-8-9-14-20(19)28-23(21)27/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3
InChIKeyBNIDXSNZBCBZBM-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.34
Rot. Bonds8

About 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one

4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one (PubChem CID 87377269) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one
PubChem CID87377269
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one
SMILESCCCCCC(CC(C)=O)(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H26O4/c1-3-4-10-15-24(16-17(2)25,18-11-6-5-7-12-18)21-22(26)19-13-8-9-14-20(19)28-23(21)27/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3
InChIKeyBNIDXSNZBCBZBM-UHFFFAOYSA-N
XLogP5.34
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one (CID 87377269) is 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one is CCCCCC(CC(C)=O)(c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one?
The InChIKey is BNIDXSNZBCBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-3-4-10-15-24(16-17(2)25,18-11-6-5-7-12-18)21-22(26)19-13-8-9-14-20(19)28-23(21)27/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one?
4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one has a molecular weight of 378.47 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-oxo-4-phenylnonan-4-yl)chromen-2-one is sourced from PubChem (CID 87377269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).