6-hydroxy-2-(2-phenylethyl)chromen-4-one

C17H14O3 — CID 5318315

IUPAC6-hydroxy-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H14O3/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
InChIKeyQIYUDFMVCDXKBQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.28
Rot. Bonds3

About 6-hydroxy-2-(2-phenylethyl)chromen-4-one

6-hydroxy-2-(2-phenylethyl)chromen-4-one (PubChem CID 5318315) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-hydroxy-2-(2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-phenylethyl)chromen-4-one
PubChem CID5318315
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name6-hydroxy-2-(2-phenylethyl)chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2ccc(O)cc12
InChIInChI=1S/C17H14O3/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
InChIKeyQIYUDFMVCDXKBQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The IUPAC name of 6-hydroxy-2-(2-phenylethyl)chromen-4-one (CID 5318315) is 6-hydroxy-2-(2-phenylethyl)chromen-4-one.
What is the SMILES notation for 6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The canonical SMILES for 6-hydroxy-2-(2-phenylethyl)chromen-4-one is O=c1cc(CCc2ccccc2)oc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-2-(2-phenylethyl)chromen-4-one?
The InChIKey is QIYUDFMVCDXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2.
What are the key properties of 6-hydroxy-2-(2-phenylethyl)chromen-4-one?
6-hydroxy-2-(2-phenylethyl)chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-phenylethyl)chromen-4-one is sourced from PubChem (CID 5318315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).