5-hydroxy-2-(1-phenylethyl)chromen-4-one

C17H14O3 — CID 175503361

IUPAC5-hydroxy-2-(1-phenylethyl)chromen-4-one
SMILESCC(c1ccccc1)c1cc(=O)c2c(O)cccc2o1
InChIInChI=1S/C17H14O3/c1-11(12-6-3-2-4-7-12)16-10-14(19)17-13(18)8-5-9-15(17)20-16/h2-11,18H,1H3
InChIKeyIVFPTKHNMITXKY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.65
Rot. Bonds2

About 5-hydroxy-2-(1-phenylethyl)chromen-4-one

5-hydroxy-2-(1-phenylethyl)chromen-4-one (PubChem CID 175503361) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-hydroxy-2-(1-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(1-phenylethyl)chromen-4-one
PubChem CID175503361
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name5-hydroxy-2-(1-phenylethyl)chromen-4-one
SMILESCC(c1ccccc1)c1cc(=O)c2c(O)cccc2o1
InChIInChI=1S/C17H14O3/c1-11(12-6-3-2-4-7-12)16-10-14(19)17-13(18)8-5-9-15(17)20-16/h2-11,18H,1H3
InChIKeyIVFPTKHNMITXKY-UHFFFAOYSA-N
XLogP3.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-(1-phenylethyl)pyran-2-one
CID 54690177
CID 172853606
CID 172853606
5-hydroxy-4-oxochromene-2-carboxamide
CID 22924487
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
CID 54720674
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
2-methyl-5-(1-phenylethyl)furan
CID 101473282
N-[3-[benzyl(methyl)amino]propyl]-5-hydroxy-4-oxochromene-2-carboxamide
CID 118727383
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
4-oxo-5-sulfanylchromene-2-carboxylic acid
CID 13230877

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1-phenylethyl)chromen-4-one?
The IUPAC name of 5-hydroxy-2-(1-phenylethyl)chromen-4-one (CID 175503361) is 5-hydroxy-2-(1-phenylethyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(1-phenylethyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(1-phenylethyl)chromen-4-one is CC(c1ccccc1)c1cc(=O)c2c(O)cccc2o1.
What is the InChIKey of 5-hydroxy-2-(1-phenylethyl)chromen-4-one?
The InChIKey is IVFPTKHNMITXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(12-6-3-2-4-7-12)16-10-14(19)17-13(18)8-5-9-15(17)20-16/h2-11,18H,1H3.
What are the key properties of 5-hydroxy-2-(1-phenylethyl)chromen-4-one?
5-hydroxy-2-(1-phenylethyl)chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-phenylethyl)chromen-4-one is sourced from PubChem (CID 175503361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).