2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one

C17H10O3 — CID 162359823

IUPAC2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one
SMILESO=c1cc(C#Cc2cccc(O)c2)oc2ccccc12
InChIInChI=1S/C17H10O3/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11,18H
InChIKeyFNDXVNNYJHBXCA-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.90
Rot. Bonds

About 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one

2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one (PubChem CID 162359823) has the molecular formula C17H10O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one
PubChem CID162359823
Molecular FormulaC17H10O3
Molecular Weight262.26 g/mol
Exact Mass262.06
IUPAC Name2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one
SMILESO=c1cc(C#Cc2cccc(O)c2)oc2ccccc12
InChIInChI=1S/C17H10O3/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11,18H
InChIKeyFNDXVNNYJHBXCA-UHFFFAOYSA-N
XLogP2.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one?
The IUPAC name of 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one (CID 162359823) is 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one is O=c1cc(C#Cc2cccc(O)c2)oc2ccccc12.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one?
The InChIKey is FNDXVNNYJHBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11,18H.
What are the key properties of 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one?
2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one has a molecular weight of 262.26 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)ethynyl]chromen-4-one is sourced from PubChem (CID 162359823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).