(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone

C25H15FO3 — CID 11740605

IUPAC(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H
InChIKeyNLZMIQVDKOLBLI-UHFFFAOYSA-N
MW382.39 g/mol
LogP6.33
Rot. Bonds3

About (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone

(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone (PubChem CID 11740605) has the molecular formula C25H15FO3 and a molecular weight of 382.39 g/mol. Its IUPAC name is (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
PubChem CID11740605
Molecular FormulaC25H15FO3
Molecular Weight382.39 g/mol
Exact Mass382.10
IUPAC Name(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H
InChIKeyNLZMIQVDKOLBLI-UHFFFAOYSA-N
XLogP6.33
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone (CID 11740605) is (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone is O=C(c1ccc(F)cc1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12.
What is the InChIKey of (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The InChIKey is NLZMIQVDKOLBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H.
What are the key properties of (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
(4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone has a molecular weight of 382.39 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 11740605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).