7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one

C20H19FO4 — CID 112788248

IUPAC7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(C(C)C)cc(=O)oc3c2)cc1F
InChIInChI=1S/C20H19FO4/c1-12(2)16-10-20(22)25-19-9-14(5-6-15(16)19)24-11-13-4-7-18(23-3)17(21)8-13/h4-10,12H,11H2,1-3H3
InChIKeyBSYZUVAEEBMWQD-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.64
Rot. Bonds5

About 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one

7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one (PubChem CID 112788248) has the molecular formula C20H19FO4 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one.

Molecular Properties

Compound Name7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one
PubChem CID112788248
Molecular FormulaC20H19FO4
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(C(C)C)cc(=O)oc3c2)cc1F
InChIInChI=1S/C20H19FO4/c1-12(2)16-10-20(22)25-19-9-14(5-6-15(16)19)24-11-13-4-7-18(23-3)17(21)8-13/h4-10,12H,11H2,1-3H3
InChIKeyBSYZUVAEEBMWQD-UHFFFAOYSA-N
XLogP4.64
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
methyl 3-(4-chlorophenyl)-2-[7-[(4-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanoate
CID 4086247
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
7-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-propan-2-ylchromen-2-one
CID 29357253
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 112806529
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one?
The IUPAC name of 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one (CID 112788248) is 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one.
What is the SMILES notation for 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one?
The canonical SMILES for 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one is COc1ccc(COc2ccc3c(C(C)C)cc(=O)oc3c2)cc1F.
What is the InChIKey of 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one?
The InChIKey is BSYZUVAEEBMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO4/c1-12(2)16-10-20(22)25-19-9-14(5-6-15(16)19)24-11-13-4-7-18(23-3)17(21)8-13/h4-10,12H,11H2,1-3H3.
What are the key properties of 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one?
7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one has a molecular weight of 342.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one is sourced from PubChem (CID 112788248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).