4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one

C24H19FO5 — CID 6540240

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(F)c4)c3)cc(=O)oc2c1
InChIInChI=1S/C24H19FO5/c1-27-17-11-21(29-3)24-18(13-23(26)30-22(24)12-17)16-6-4-5-14(9-16)15-7-8-20(28-2)19(25)10-15/h4-13H,1-3H3
InChIKeyRNXDVGMBHNJTQM-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.29
Rot. Bonds5

About 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one

4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one (PubChem CID 6540240) has the molecular formula C24H19FO5 and a molecular weight of 406.41 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one
PubChem CID6540240
Molecular FormulaC24H19FO5
Molecular Weight406.41 g/mol
Exact Mass406.12
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(F)c4)c3)cc(=O)oc2c1
InChIInChI=1S/C24H19FO5/c1-27-17-11-21(29-3)24-18(13-23(26)30-22(24)12-17)16-6-4-5-14(9-16)15-7-8-20(28-2)19(25)10-15/h4-13H,1-3H3
InChIKeyRNXDVGMBHNJTQM-UHFFFAOYSA-N
XLogP5.29
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one (CID 6540240) is 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one is COc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(F)c4)c3)cc(=O)oc2c1.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one?
The InChIKey is RNXDVGMBHNJTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FO5/c1-27-17-11-21(29-3)24-18(13-23(26)30-22(24)12-17)16-6-4-5-14(9-16)15-7-8-20(28-2)19(25)10-15/h4-13H,1-3H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one?
4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one has a molecular weight of 406.41 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 6540240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).