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

C25H15FO3 — CID 10452479

IUPAC(3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1cccc(F)c1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H
InChIKeyPLHHIAUBWIVAFR-UHFFFAOYSA-N
MW382.39 g/mol
LogP6.33
Rot. Bonds3

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

(3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone (PubChem CID 10452479) has the molecular formula C25H15FO3 and a molecular weight of 382.39 g/mol. Its IUPAC name is (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
PubChem CID10452479
Molecular FormulaC25H15FO3
Molecular Weight382.39 g/mol
Exact Mass382.10
IUPAC Name(3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone
SMILESO=C(c1cccc(F)c1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H
InChIKeyPLHHIAUBWIVAFR-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 (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone (CID 10452479) is (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone is O=C(c1cccc(F)c1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12.
What is the InChIKey of (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
The InChIKey is PLHHIAUBWIVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H.
What are the key properties of (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone?
(3-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 (3-fluorophenyl)-(6-hydroxy-3-naphthalen-1-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 10452479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).