bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone

C41H34O5 — CID 118474101

IUPACbis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
SMILESCc1cc(C)cc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(Oc6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C41H34O5/c1-27-21-28(2)24-39(23-27)45-37-17-13-35(14-18-37)43-33-9-5-31(6-10-33)41(42)32-7-11-34(12-8-32)44-36-15-19-38(20-16-36)46-40-25-29(3)22-30(4)26-40/h5-26H,1-4H3
InChIKeyGAFWNECOVVECBM-UHFFFAOYSA-N
MW606.72 g/mol
LogP11.32
Rot. Bonds10

About bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone

bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone (PubChem CID 118474101) has the molecular formula C41H34O5 and a molecular weight of 606.72 g/mol. Its IUPAC name is bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
PubChem CID118474101
Molecular FormulaC41H34O5
Molecular Weight606.72 g/mol
Exact Mass606.24
IUPAC Namebis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
SMILESCc1cc(C)cc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(Oc6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C41H34O5/c1-27-21-28(2)24-39(23-27)45-37-17-13-35(14-18-37)43-33-9-5-31(6-10-33)41(42)32-7-11-34(12-8-32)44-36-15-19-38(20-16-36)46-40-25-29(3)22-30(4)26-40/h5-26H,1-4H3
InChIKeyGAFWNECOVVECBM-UHFFFAOYSA-N
XLogP11.32
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.72
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[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
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[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-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730

Frequently Asked Questions

What is the IUPAC name of bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone?
The IUPAC name of bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone (CID 118474101) is bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone.
What is the SMILES notation for bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone?
The canonical SMILES for bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone is Cc1cc(C)cc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(Oc6cc(C)cc(C)c6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone?
The InChIKey is GAFWNECOVVECBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O5/c1-27-21-28(2)24-39(23-27)45-37-17-13-35(14-18-37)43-33-9-5-31(6-10-33)41(42)32-7-11-34(12-8-32)44-36-15-19-38(20-16-36)46-40-25-29(3)22-30(4)26-40/h5-26H,1-4H3.
What are the key properties of bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone?
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone has a molecular weight of 606.72 g/mol, XLogP of 11.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone is sourced from PubChem (CID 118474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).