8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one

C18H15FO4 — CID 178046106

IUPAC8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
SMILESCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1F
InChIInChI=1S/C18H15FO4/c1-21-9-10-22-15-8-7-13-14(20)11-16(23-18(13)17(15)19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMGVADQLCNYCXOK-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.62
Rot. Bonds5

About 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one

8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one (PubChem CID 178046106) has the molecular formula C18H15FO4 and a molecular weight of 314.31 g/mol. Its IUPAC name is 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
PubChem CID178046106
Molecular FormulaC18H15FO4
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
SMILESCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1F
InChIInChI=1S/C18H15FO4/c1-21-9-10-22-15-8-7-13-14(20)11-16(23-18(13)17(15)19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMGVADQLCNYCXOK-UHFFFAOYSA-N
XLogP3.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(6-bromohexoxy)-8-methyl-2-phenylchromen-4-one
CID 71602903
8-methyl-7-[5-(2-methylpiperidin-1-yl)pentoxy]-2-phenylchromen-4-one
CID 71602954
(7-ethoxycarbonyloxy-4-oxo-2-phenylchromen-8-yl) ethyl carbonate
CID 74763707
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
CID 71602857
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
8-(4-hydroxy-4-methyl-3-oxopent-1-enyl)-7-methoxy-2-phenylchromen-4-one
CID 4047895
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
2-(4-oxo-6-pentoxy-2-phenylchromen-7-yl)oxyacetic acid
CID 19358658
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086
3-[5-(8-chloro-4-oxochromen-2-yl)-2-methoxyphenoxy]propanoic acid
CID 154647322
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one?
The IUPAC name of 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one (CID 178046106) is 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one is COCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1F.
What is the InChIKey of 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one?
The InChIKey is MGVADQLCNYCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO4/c1-21-9-10-22-15-8-7-13-14(20)11-16(23-18(13)17(15)19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one?
8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one has a molecular weight of 314.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 178046106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).