[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone

C36H22F2O4 — CID 19773723

IUPAC[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone
SMILESO=C(c1ccc2cc(C(=O)c3ccccc3Oc3ccc(F)cc3)ccc2c1)c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C36H22F2O4/c37-27-13-17-29(18-14-27)41-33-7-3-1-5-31(33)35(39)25-11-9-24-22-26(12-10-23(24)21-25)36(40)32-6-2-4-8-34(32)42-30-19-15-28(38)16-20-30/h1-22H
InChIKeyLFNITRAWZZPHOE-UHFFFAOYSA-N
MW556.56 g/mol
LogP9.16
Rot. Bonds8

About [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone

[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone (PubChem CID 19773723) has the molecular formula C36H22F2O4 and a molecular weight of 556.56 g/mol. Its IUPAC name is [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone
PubChem CID19773723
Molecular FormulaC36H22F2O4
Molecular Weight556.56 g/mol
Exact Mass556.15
IUPAC Name[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone
SMILESO=C(c1ccc2cc(C(=O)c3ccccc3Oc3ccc(F)cc3)ccc2c1)c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C36H22F2O4/c37-27-13-17-29(18-14-27)41-33-7-3-1-5-31(33)35(39)25-11-9-24-22-26(12-10-23(24)21-25)36(40)32-6-2-4-8-34(32)42-30-19-15-28(38)16-20-30/h1-22H
InChIKeyLFNITRAWZZPHOE-UHFFFAOYSA-N
XLogP9.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.56
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone?
The IUPAC name of [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone (CID 19773723) is [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone.
What is the SMILES notation for [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone?
The canonical SMILES for [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone is O=C(c1ccc2cc(C(=O)c3ccccc3Oc3ccc(F)cc3)ccc2c1)c1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone?
The InChIKey is LFNITRAWZZPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F2O4/c37-27-13-17-29(18-14-27)41-33-7-3-1-5-31(33)35(39)25-11-9-24-22-26(12-10-23(24)21-25)36(40)32-6-2-4-8-34(32)42-30-19-15-28(38)16-20-30/h1-22H.
What are the key properties of [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone?
[6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone has a molecular weight of 556.56 g/mol, XLogP of 9.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-fluorophenoxy)benzoyl]naphthalen-2-yl]-[2-(4-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 19773723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).