7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one

C24H28O3 — CID 11024901

IUPAC7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
SMILESCC(C)c1cc(C(C)C)c(C(C)C)cc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C24H28O3/c1-13(2)18-10-20(15(5)6)21(11-19(18)14(3)4)22-12-27-23-9-16(25)7-8-17(23)24(22)26/h7-15,25H,1-6H3
InChIKeyXFVXXRIWUCRIJM-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.54
Rot. Bonds4

About 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one

7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one (PubChem CID 11024901) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
PubChem CID11024901
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
SMILESCC(C)c1cc(C(C)C)c(C(C)C)cc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C24H28O3/c1-13(2)18-10-20(15(5)6)21(11-19(18)14(3)4)22-12-27-23-9-16(25)7-8-17(23)24(22)26/h7-15,25H,1-6H3
InChIKeyXFVXXRIWUCRIJM-UHFFFAOYSA-N
XLogP6.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-hydroxy-4-oxochromen-3-yl)-4,5-di(propan-2-yl)benzenesulfonic acid
CID 11014915
4-(7-hydroxy-4-oxochromen-3-yl)-2-propan-2-ylbenzenesulfonic acid
CID 10872107
3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
CID 71483517
7-hydroxy-3-methylchromen-4-one
CID 13419593
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
CID 5397271
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 69367923
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-fluoro-7-hydroxychromen-4-one
CID 14948349
7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5408024
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one (CID 11024901) is 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one is CC(C)c1cc(C(C)C)c(C(C)C)cc1-c1coc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one?
The InChIKey is XFVXXRIWUCRIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-13(2)18-10-20(15(5)6)21(11-19(18)14(3)4)22-12-27-23-9-16(25)7-8-17(23)24(22)26/h7-15,25H,1-6H3.
What are the key properties of 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one?
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one has a molecular weight of 364.49 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one is sourced from PubChem (CID 11024901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).