[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone

C34H26O4 — CID 90192164

IUPAC[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3cccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H26O4/c1-23-6-10-25(11-7-23)33(35)27-14-18-29(19-15-27)37-31-4-3-5-32(22-31)38-30-20-16-28(17-21-30)34(36)26-12-8-24(2)9-13-26/h3-22H,1-2H3
InChIKeyKCISMLYDZVUGPS-UHFFFAOYSA-N
MW498.58 g/mol
LogP8.35
Rot. Bonds8

About [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 90192164) has the molecular formula C34H26O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID90192164
Molecular FormulaC34H26O4
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3cccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H26O4/c1-23-6-10-25(11-7-23)33(35)27-14-18-29(19-15-27)37-31-4-3-5-32(22-31)38-30-20-16-28(17-21-30)34(36)26-12-8-24(2)9-13-26/h3-22H,1-2H3
InChIKeyKCISMLYDZVUGPS-UHFFFAOYSA-N
XLogP8.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[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-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
CID 118474101
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[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-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 90192164) is [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3cccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is KCISMLYDZVUGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O4/c1-23-6-10-25(11-7-23)33(35)27-14-18-29(19-15-27)37-31-4-3-5-32(22-31)38-30-20-16-28(17-21-30)34(36)26-12-8-24(2)9-13-26/h3-22H,1-2H3.
What are the key properties of [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 498.58 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 90192164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).