2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one

C23H26O3 — CID 10521834

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
SMILESCC(C)(C)c1cc(-c2cc(=O)c3ccccc3o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H26O3/c1-22(2,3)16-11-14(12-17(21(16)25)23(4,5)6)20-13-18(24)15-9-7-8-10-19(15)26-20/h7-13,25H,1-6H3
InChIKeyCWGSVVDMGJJKMY-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.76
Rot. Bonds1

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one

2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one (PubChem CID 10521834) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
PubChem CID10521834
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
SMILESCC(C)(C)c1cc(-c2cc(=O)c3ccccc3o2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H26O3/c1-22(2,3)16-11-14(12-17(21(16)25)23(4,5)6)20-13-18(24)15-9-7-8-10-19(15)26-20/h7-13,25H,1-6H3
InChIKeyCWGSVVDMGJJKMY-UHFFFAOYSA-N
XLogP5.76
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one (CID 10521834) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one is CC(C)(C)c1cc(-c2cc(=O)c3ccccc3o2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one?
The InChIKey is CWGSVVDMGJJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-22(2,3)16-11-14(12-17(21(16)25)23(4,5)6)20-13-18(24)15-9-7-8-10-19(15)26-20/h7-13,25H,1-6H3.
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one?
2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one has a molecular weight of 350.46 g/mol, XLogP of 5.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 10521834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).