[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone

C35H28O5 — CID 90334661

IUPAC[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)C5C=CC(C)=CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H28O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-5,7-22,24H,6H2,1-2H3
InChIKeyABFIJPJRTSNGOD-UHFFFAOYSA-N
MW528.60 g/mol
LogP7.65
Rot. Bonds9

About [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone

[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone (PubChem CID 90334661) has the molecular formula C35H28O5 and a molecular weight of 528.60 g/mol. Its IUPAC name is [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
PubChem CID90334661
Molecular FormulaC35H28O5
Molecular Weight528.60 g/mol
Exact Mass528.19
IUPAC Name[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)C5C=CC(C)=CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H28O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-5,7-22,24H,6H2,1-2H3
InChIKeyABFIJPJRTSNGOD-UHFFFAOYSA-N
XLogP7.65
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.60
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[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-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
CID 118689697
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
1-[4-(4-benzoylcyclohexa-1,5-dien-1-yl)oxyphenyl]-2-methylprop-2-en-1-one
CID 123619830
[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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone (CID 90334661) is [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone is COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)C5C=CC(C)=CC5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is ABFIJPJRTSNGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-5,7-22,24H,6H2,1-2H3.
What are the key properties of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone?
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 528.60 g/mol, XLogP of 7.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 90334661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).