6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one

C23H20FNO4 — CID 156871515

IUPAC6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C(Oc2c(F)cc3c(c2C)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C23H20FNO4/c1-14-21-18(20(26)9-12-28-21)13-19(24)22(14)29-23(16-7-10-25-11-8-16)15-3-5-17(27-2)6-4-15/h3-8,10-11,13,23H,9,12H2,1-2H3
InChIKeySGYGKQRXBMKCEW-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.67
Rot. Bonds5

About 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one

6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 156871515) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
PubChem CID156871515
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C(Oc2c(F)cc3c(c2C)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C23H20FNO4/c1-14-21-18(20(26)9-12-28-21)13-19(24)22(14)29-23(16-7-10-25-11-8-16)15-3-5-17(27-2)6-4-15/h3-8,10-11,13,23H,9,12H2,1-2H3
InChIKeySGYGKQRXBMKCEW-UHFFFAOYSA-N
XLogP4.67
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one (CID 156871515) is 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one is COc1ccc(C(Oc2c(F)cc3c(c2C)OCCC3=O)c2ccncc2)cc1.
What is the InChIKey of 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is SGYGKQRXBMKCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-14-21-18(20(26)9-12-28-21)13-19(24)22(14)29-23(16-7-10-25-11-8-16)15-3-5-17(27-2)6-4-15/h3-8,10-11,13,23H,9,12H2,1-2H3.
What are the key properties of 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one?
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 393.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156871515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).