1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone

C39H30O4 — CID 126710300

IUPAC1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(Oc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H30O4/c1-27-3-5-30(6-4-27)31-9-17-36(18-10-31)42-38-23-25-39(26-24-38)43-37-21-13-33(14-22-37)32-11-19-35(20-12-32)41-34-15-7-29(8-16-34)28(2)40/h3-26H,1-2H3
InChIKeyFFPDJUOSNRISGP-UHFFFAOYSA-N
MW562.67 g/mol
LogP10.91
Rot. Bonds9

About 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone

1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone (PubChem CID 126710300) has the molecular formula C39H30O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
PubChem CID126710300
Molecular FormulaC39H30O4
Molecular Weight562.67 g/mol
Exact Mass562.21
IUPAC Name1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(Oc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H30O4/c1-27-3-5-30(6-4-27)31-9-17-36(18-10-31)42-38-23-25-39(26-24-38)43-37-21-13-33(14-22-37)32-11-19-35(20-12-32)41-34-15-7-29(8-16-34)28(2)40/h3-26H,1-2H3
InChIKeyFFPDJUOSNRISGP-UHFFFAOYSA-N
XLogP10.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone with MolForge

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Related Compounds

[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-[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
methanesulfonic acid;1-[4-(4-methylphenoxy)phenyl]ethanone
CID 90969067
methanesulfonic acid;bis(1-[4-[4-(4-methylphenoxy)phenoxy]phenyl]ethanone)
CID 158564217
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
4-(4-acetylphenoxy)benzoic acid
CID 60723234
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
1-methyl-4-[4-[4-[4-[1-[4-(4-prop-1-en-2-ylphenoxy)phenyl]ethenyl]phenoxy]phenoxy]phenyl]benzene
CID 162199902
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone (CID 126710300) is 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(Oc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone?
The InChIKey is FFPDJUOSNRISGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30O4/c1-27-3-5-30(6-4-27)31-9-17-36(18-10-31)42-38-23-25-39(26-24-38)43-37-21-13-33(14-22-37)32-11-19-35(20-12-32)41-34-15-7-29(8-16-34)28(2)40/h3-26H,1-2H3.
What are the key properties of 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone?
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone has a molecular weight of 562.67 g/mol, XLogP of 10.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone is sourced from PubChem (CID 126710300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).