2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

C20H18O3 — CID 90300754

IUPAC2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCC(C)=CCc1cccc2c(=O)cc(-c3ccccc3O)oc12
InChIInChI=1S/C20H18O3/c1-13(2)10-11-14-6-5-8-16-18(22)12-19(23-20(14)16)15-7-3-4-9-17(15)21/h3-10,12,21H,11H2,1-2H3
InChIKeyKWLSZHZQIDYHBB-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.67
Rot. Bonds3

About 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 90300754) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
PubChem CID90300754
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCC(C)=CCc1cccc2c(=O)cc(-c3ccccc3O)oc12
InChIInChI=1S/C20H18O3/c1-13(2)10-11-14-6-5-8-16-18(22)12-19(23-20(14)16)15-7-3-4-9-17(15)21/h3-10,12,21H,11H2,1-2H3
InChIKeyKWLSZHZQIDYHBB-UHFFFAOYSA-N
XLogP4.67
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one (CID 90300754) is 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one is CC(C)=CCc1cccc2c(=O)cc(-c3ccccc3O)oc12.
What is the InChIKey of 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The InChIKey is KWLSZHZQIDYHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13(2)10-11-14-6-5-8-16-18(22)12-19(23-20(14)16)15-7-3-4-9-17(15)21/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 306.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 90300754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).