(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone

C28H22O4 — CID 58399730

IUPAC(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1
InChIInChI=1S/C28H22O4/c1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h3-18H,1-2H3
InChIKeyDVFCTTFBIMIRQL-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.26
Rot. Bonds7

About (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone

(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone (PubChem CID 58399730) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
PubChem CID58399730
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1
InChIInChI=1S/C28H22O4/c1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h3-18H,1-2H3
InChIKeyDVFCTTFBIMIRQL-UHFFFAOYSA-N
XLogP6.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
[3-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 161175787
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone (CID 58399730) is (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone is COc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
The InChIKey is DVFCTTFBIMIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O4/c1-19-6-12-25(13-7-19)32-26-16-10-21(11-17-26)28(30)23-5-3-4-22(18-23)27(29)20-8-14-24(31-2)15-9-20/h3-18H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone?
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone has a molecular weight of 422.48 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone is sourced from PubChem (CID 58399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).