2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one

C18H16O3 — CID 170553002

IUPAC2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
SMILESCC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1O
InChIInChI=1S/C18H16O3/c1-11(2)13-8-7-12(9-15(13)19)18-10-16(20)14-5-3-4-6-17(14)21-18/h3-11,19H,1-2H3
InChIKeyVEIVDUOHNZWGJV-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.29
Rot. Bonds2

About 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one

2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one (PubChem CID 170553002) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
PubChem CID170553002
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
SMILESCC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1O
InChIInChI=1S/C18H16O3/c1-11(2)13-8-7-12(9-15(13)19)18-10-16(20)14-5-3-4-6-17(14)21-18/h3-11,19H,1-2H3
InChIKeyVEIVDUOHNZWGJV-UHFFFAOYSA-N
XLogP4.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one?
The IUPAC name of 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one (CID 170553002) is 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one?
The canonical SMILES for 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one is CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one?
The InChIKey is VEIVDUOHNZWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(2)13-8-7-12(9-15(13)19)18-10-16(20)14-5-3-4-6-17(14)21-18/h3-11,19H,1-2H3.
What are the key properties of 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one?
2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one is sourced from PubChem (CID 170553002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).