1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one

C23H18FNO4 — CID 58272726

IUPAC1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc3oc(CO)cc23)cc1
InChIInChI=1S/C23H18FNO4/c24-17-5-1-15(2-6-17)11-18(27)12-16-3-7-19(8-4-16)28-22-9-10-25-23-21(22)13-20(14-26)29-23/h1-10,13,26H,11-12,14H2
InChIKeyATMIGVHYPPBCLY-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.61
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one

1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one (PubChem CID 58272726) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one
PubChem CID58272726
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc3oc(CO)cc23)cc1
InChIInChI=1S/C23H18FNO4/c24-17-5-1-15(2-6-17)11-18(27)12-16-3-7-19(8-4-16)28-22-9-10-25-23-21(22)13-20(14-26)29-23/h1-10,13,26H,11-12,14H2
InChIKeyATMIGVHYPPBCLY-UHFFFAOYSA-N
XLogP4.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one with MolForge

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Related Compounds

6-Methoxybenzofuran-2-yl-(4-fluorophenyl)-3-pyridylmethanol
CID 10020714
(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyridyl-methanol
CID 11624690
Pyridylmethanol, 8a
CID 10064531
Pyridylmethanol, 8f
CID 57340428
(2S)-2-[4-[4-(2-benzylfuro[2,3-b]pyridin-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10673660
(S)-(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
CID 76327865
[1]Benzofuro[2,3-b]pyridin-4-ylmethanol
CID 1042736
3-(Carboxymethoxy)furo[2,3-b]pyridine-2-carboxylic acid
CID 23646645
2-(3-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol
CID 53301539
4-(6-Hydroxy-2-pyridin-3-yl-1-benzofuran-3-yl)benzene-1,3-diol
CID 137635148
3-(2-Fluoro-4-pyridinyl)-2-(4-hydroxyphenyl)-1-benzofuran-6-ol
CID 145949860
(6-But-2-ynoxy-1-benzofuran-2-yl)-(4-fluorophenyl)-pyridin-3-ylmethanol
CID 171343896

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one (CID 58272726) is 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one is O=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ccnc3oc(CO)cc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one?
The InChIKey is ATMIGVHYPPBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-17-5-1-15(2-6-17)11-18(27)12-16-3-7-19(8-4-16)28-22-9-10-25-23-21(22)13-20(14-26)29-23/h1-10,13,26H,11-12,14H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one?
1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one has a molecular weight of 391.40 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[2-(hydroxymethyl)furo[2,3-b]pyridin-4-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58272726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).