1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone

C28H24O4 — CID 145108825

IUPAC1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)c2ccc(Oc3ccc(OC4=CCC(C)C=C4)cc3)cc2)cc1
InChIInChI=1S/C28H24O4/c1-19-3-11-24(12-4-19)31-26-15-17-27(18-16-26)32-25-13-9-23(10-14-25)28(30)22-7-5-21(6-8-22)20(2)29/h3,5-19H,4H2,1-2H3
InChIKeyLSVPMBSGVUJPKI-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.77
Rot. Bonds7

About 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone

1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone (PubChem CID 145108825) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone
PubChem CID145108825
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)c2ccc(Oc3ccc(OC4=CCC(C)C=C4)cc3)cc2)cc1
InChIInChI=1S/C28H24O4/c1-19-3-11-24(12-4-19)31-26-15-17-27(18-16-26)32-25-13-9-23(10-14-25)28(30)22-7-5-21(6-8-22)20(2)29/h3,5-19H,4H2,1-2H3
InChIKeyLSVPMBSGVUJPKI-UHFFFAOYSA-N
XLogP6.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone with MolForge

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Related Compounds

[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
1-[4-(4-benzoylcyclohexa-1,5-dien-1-yl)oxyphenyl]-2-methylprop-2-en-1-one
CID 123619830
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092
[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
(1S)-1-[4-(4-acetylphenyl)phenyl]-4-[(1S)-4-(4-methylphenoxy)cyclohexa-2,4-dien-1-yl]oxycyclohexa-2,4-diene-1-carbaldehyde
CID 146549277
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 90334661

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone (CID 145108825) is 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)c2ccc(Oc3ccc(OC4=CCC(C)C=C4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone?
The InChIKey is LSVPMBSGVUJPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-19-3-11-24(12-4-19)31-26-15-17-27(18-16-26)32-25-13-9-23(10-14-25)28(30)22-7-5-21(6-8-22)20(2)29/h3,5-19H,4H2,1-2H3.
What are the key properties of 1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone?
1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone has a molecular weight of 424.50 g/mol, XLogP of 6.77, 7 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-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone is sourced from PubChem (CID 145108825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).