[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone

C36H22Cl2O4 — CID 59847037

IUPAC[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H22Cl2O4/c37-27-13-5-23(6-14-27)35(39)25-9-17-29(18-10-25)41-33-21-22-34(32-4-2-1-3-31(32)33)42-30-19-11-26(12-20-30)36(40)24-7-15-28(38)16-8-24/h1-22H
InChIKeyNSAUFIFBRIFYMB-UHFFFAOYSA-N
MW589.47 g/mol
LogP10.19
Rot. Bonds8

About [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone

[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone (PubChem CID 59847037) has the molecular formula C36H22Cl2O4 and a molecular weight of 589.47 g/mol. Its IUPAC name is [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
PubChem CID59847037
Molecular FormulaC36H22Cl2O4
Molecular Weight589.47 g/mol
Exact Mass588.09
IUPAC Name[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H22Cl2O4/c37-27-13-5-23(6-14-27)35(39)25-9-17-29(18-10-25)41-33-21-22-34(32-4-2-1-3-31(32)33)42-30-19-11-26(12-20-30)36(40)24-7-15-28(38)16-8-24/h1-22H
InChIKeyNSAUFIFBRIFYMB-UHFFFAOYSA-N
XLogP10.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.47
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
CID 59755419
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
CID 22633805
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone (CID 59847037) is [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone?
The InChIKey is NSAUFIFBRIFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Cl2O4/c37-27-13-5-23(6-14-27)35(39)25-9-17-29(18-10-25)41-33-21-22-34(32-4-2-1-3-31(32)33)42-30-19-11-26(12-20-30)36(40)24-7-15-28(38)16-8-24/h1-22H.
What are the key properties of [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone?
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone has a molecular weight of 589.47 g/mol, XLogP of 10.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 59847037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).