[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone

C26H14Cl4O3 — CID 67201726

IUPAC[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C(=O)c3cccc(Cl)c3Cl)cc2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C26H14Cl4O3/c27-21-5-1-3-19(23(21)29)25(31)15-7-11-17(12-8-15)33-18-13-9-16(10-14-18)26(32)20-4-2-6-22(28)24(20)30/h1-14H
InChIKeyVEODDKHNWNUDEO-UHFFFAOYSA-N
MW516.21 g/mol
LogP8.55
Rot. Bonds6

About [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone

[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone (PubChem CID 67201726) has the molecular formula C26H14Cl4O3 and a molecular weight of 516.21 g/mol. Its IUPAC name is [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
PubChem CID67201726
Molecular FormulaC26H14Cl4O3
Molecular Weight516.21 g/mol
Exact Mass513.97
IUPAC Name[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1ccc(Oc2ccc(C(=O)c3cccc(Cl)c3Cl)cc2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C26H14Cl4O3/c27-21-5-1-3-19(23(21)29)25(31)15-7-11-17(12-8-15)33-18-13-9-16(10-14-18)26(32)20-4-2-6-22(28)24(20)30/h1-14H
InChIKeyVEODDKHNWNUDEO-UHFFFAOYSA-N
XLogP8.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.21
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 107502317
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
CID 139963055
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
[2-(2,3-dichlorobenzoyl)phenyl] acetate
CID 24722904
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone (CID 67201726) is [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone is O=C(c1ccc(Oc2ccc(C(=O)c3cccc(Cl)c3Cl)cc2)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone?
The InChIKey is VEODDKHNWNUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Cl4O3/c27-21-5-1-3-19(23(21)29)25(31)15-7-11-17(12-8-15)33-18-13-9-16(10-14-18)26(32)20-4-2-6-22(28)24(20)30/h1-14H.
What are the key properties of [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone?
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone has a molecular weight of 516.21 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 67201726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).