7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one

C18H15FO3 — CID 164804491

IUPAC7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(CF)c3ccccc3)ccc12
InChIInChI=1S/C18H15FO3/c1-12-9-18(20)22-16-10-14(7-8-15(12)16)21-17(11-19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChIKeyKEJICCUUOSHXDH-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.19
Rot. Bonds4

About 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one

7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one (PubChem CID 164804491) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
PubChem CID164804491
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(CF)c3ccccc3)ccc12
InChIInChI=1S/C18H15FO3/c1-12-9-18(20)22-16-10-14(7-8-15(12)16)21-17(11-19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChIKeyKEJICCUUOSHXDH-UHFFFAOYSA-N
XLogP4.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
CID 2955979
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
7-(3-amino-1,1,1-trifluoropropan-2-yl)oxy-4-methylchromen-2-one
CID 43752900
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one?
The IUPAC name of 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one (CID 164804491) is 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one.
What is the SMILES notation for 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one?
The canonical SMILES for 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OC(CF)c3ccccc3)ccc12.
What is the InChIKey of 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one?
The InChIKey is KEJICCUUOSHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-12-9-18(20)22-16-10-14(7-8-15(12)16)21-17(11-19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3.
What are the key properties of 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one?
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one has a molecular weight of 298.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one is sourced from PubChem (CID 164804491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).