[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone

C29H22O4 — CID 90306891

IUPAC[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H22O4/c1-19-3-5-20(6-4-19)27(30)21-7-9-22(10-8-21)28(31)23-11-13-24(14-12-23)29(32)25-15-17-26(33-2)18-16-25/h3-18H,1-2H3
InChIKeySWJMNGKZOIDUGQ-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.70
Rot. Bonds7

About [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 90306891) has the molecular formula C29H22O4 and a molecular weight of 434.49 g/mol. Its IUPAC name is [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
PubChem CID90306891
Molecular FormulaC29H22O4
Molecular Weight434.49 g/mol
Exact Mass434.15
IUPAC Name[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H22O4/c1-19-3-5-20(6-4-19)27(30)21-7-9-22(10-8-21)28(31)23-11-13-24(14-12-23)29(32)25-15-17-26(33-2)18-16-25/h3-18H,1-2H3
InChIKeySWJMNGKZOIDUGQ-UHFFFAOYSA-N
XLogP5.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
[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
[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-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
[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
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone (CID 90306891) is [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is SWJMNGKZOIDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O4/c1-19-3-5-20(6-4-19)27(30)21-7-9-22(10-8-21)28(31)23-11-13-24(14-12-23)29(32)25-15-17-26(33-2)18-16-25/h3-18H,1-2H3.
What are the key properties of [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone?
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 434.49 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 90306891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).