6-(2-phenylethoxy)chromen-4-one

C17H14O3 — CID 57379747

IUPAC6-(2-phenylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C17H14O3/c18-16-9-11-20-17-7-6-14(12-15(16)17)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2
InChIKeyOWKASAAWGOHLSW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.41
Rot. Bonds4

About 6-(2-phenylethoxy)chromen-4-one

6-(2-phenylethoxy)chromen-4-one (PubChem CID 57379747) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(2-phenylethoxy)chromen-4-one.

Molecular Properties

Compound Name6-(2-phenylethoxy)chromen-4-one
PubChem CID57379747
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name6-(2-phenylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C17H14O3/c18-16-9-11-20-17-7-6-14(12-15(16)17)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2
InChIKeyOWKASAAWGOHLSW-UHFFFAOYSA-N
XLogP3.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one
CID 1188451
(4-oxochromen-6-yl) acetate
CID 119082318
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
2-(3-phenylpropoxy)naphthalene
CID 13432986
chromen-4-one;fluorobenzene
CID 174960592
azane;chromen-4-one
CID 175189895
ethyl 3-methyl-5-(3-phenylpropoxy)-1-benzofuran-2-carboxylate
CID 169244606
7-[(4-chlorophenyl)methoxy]chromen-4-one
CID 70702064
6-methylchromen-4-one
CID 594810

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethoxy)chromen-4-one?
The IUPAC name of 6-(2-phenylethoxy)chromen-4-one (CID 57379747) is 6-(2-phenylethoxy)chromen-4-one.
What is the SMILES notation for 6-(2-phenylethoxy)chromen-4-one?
The canonical SMILES for 6-(2-phenylethoxy)chromen-4-one is O=c1ccoc2ccc(OCCc3ccccc3)cc12.
What is the InChIKey of 6-(2-phenylethoxy)chromen-4-one?
The InChIKey is OWKASAAWGOHLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-9-11-20-17-7-6-14(12-15(16)17)19-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2.
What are the key properties of 6-(2-phenylethoxy)chromen-4-one?
6-(2-phenylethoxy)chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethoxy)chromen-4-one is sourced from PubChem (CID 57379747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).