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

C18H16O2 — CID 2802462

IUPAC2-(4-propan-2-ylphenyl)chromen-4-one
SMILESCC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
InChIKeyPYTOHIUBXSJKQH-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.58
Rot. Bonds2

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

2-(4-propan-2-ylphenyl)chromen-4-one (PubChem CID 2802462) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)chromen-4-one
PubChem CID2802462
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-(4-propan-2-ylphenyl)chromen-4-one
SMILESCC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
InChIKeyPYTOHIUBXSJKQH-UHFFFAOYSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)chromen-4-one?
The IUPAC name of 2-(4-propan-2-ylphenyl)chromen-4-one (CID 2802462) is 2-(4-propan-2-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-propan-2-ylphenyl)chromen-4-one is CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)chromen-4-one?
The InChIKey is PYTOHIUBXSJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)chromen-4-one?
2-(4-propan-2-ylphenyl)chromen-4-one has a molecular weight of 264.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)chromen-4-one is sourced from PubChem (CID 2802462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).