(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol

C28H20FNO3 — CID 44724847

IUPAC(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol
SMILESCc1ccc2c(c1)-c1ncc(-c3c(C(O)c4ccc(F)cc4)oc4ccccc34)cc1CO2
InChIInChI=1S/C28H20FNO3/c1-16-6-11-23-22(12-16)26-19(15-32-23)13-18(14-30-26)25-21-4-2-3-5-24(21)33-28(25)27(31)17-7-9-20(29)10-8-17/h2-14,27,31H,15H2,1H3
InChIKeyCUMXGQOTFHJMNT-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.58
Rot. Bonds3

About (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol

(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol (PubChem CID 44724847) has the molecular formula C28H20FNO3 and a molecular weight of 437.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol
PubChem CID44724847
Molecular FormulaC28H20FNO3
Molecular Weight437.47 g/mol
Exact Mass437.14
IUPAC Name(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol
SMILESCc1ccc2c(c1)-c1ncc(-c3c(C(O)c4ccc(F)cc4)oc4ccccc34)cc1CO2
InChIInChI=1S/C28H20FNO3/c1-16-6-11-23-22(12-16)26-19(15-32-23)13-18(14-30-26)25-21-4-2-3-5-24(21)33-28(25)27(31)17-7-9-20(29)10-8-17/h2-14,27,31H,15H2,1H3
InChIKeyCUMXGQOTFHJMNT-UHFFFAOYSA-N
XLogP6.58
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol (CID 44724847) is (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol is Cc1ccc2c(c1)-c1ncc(-c3c(C(O)c4ccc(F)cc4)oc4ccccc34)cc1CO2.
What is the InChIKey of (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol?
The InChIKey is CUMXGQOTFHJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNO3/c1-16-6-11-23-22(12-16)26-19(15-32-23)13-18(14-30-26)25-21-4-2-3-5-24(21)33-28(25)27(31)17-7-9-20(29)10-8-17/h2-14,27,31H,15H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol?
(4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol has a molecular weight of 437.47 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(9-methyl-5H-chromeno[4,3-b]pyridin-3-yl)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 44724847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).