[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone

C28H22O4 — CID 20682561

IUPAC[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1cccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)c1
InChIInChI=1S/C28H22O4/c1-19-6-8-20(9-7-19)27(29)21-10-12-22(13-11-21)28(30)23-14-16-24(17-15-23)32-26-5-3-4-25(18-26)31-2/h3-18H,1-2H3
InChIKeyWHVAYUCIRLIQRJ-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.26
Rot. Bonds7

About [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone

[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 20682561) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
PubChem CID20682561
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1cccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)c1
InChIInChI=1S/C28H22O4/c1-19-6-8-20(9-7-19)27(29)21-10-12-22(13-11-21)28(30)23-14-16-24(17-15-23)32-26-5-3-4-25(18-26)31-2/h3-18H,1-2H3
InChIKeyWHVAYUCIRLIQRJ-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-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[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
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[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-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
[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-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone (CID 20682561) is [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone is COc1cccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is WHVAYUCIRLIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O4/c1-19-6-8-20(9-7-19)27(29)21-10-12-22(13-11-21)28(30)23-14-16-24(17-15-23)32-26-5-3-4-25(18-26)31-2/h3-18H,1-2H3.
What are the key properties of [4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone?
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)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-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 20682561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).