2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone

C24H20Cl2O4 — CID 139900510

IUPAC2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(Oc3ccc(OCC=C(Cl)Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20Cl2O4/c1-17-2-4-18(5-3-17)23(27)16-29-20-8-12-22(13-9-20)30-21-10-6-19(7-11-21)28-15-14-24(25)26/h2-14H,15-16H2,1H3
InChIKeyUPZZBJFMNMZIEK-UHFFFAOYSA-N
MW443.33 g/mol
LogP6.75
Rot. Bonds9

About 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone

2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone (PubChem CID 139900510) has the molecular formula C24H20Cl2O4 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
PubChem CID139900510
Molecular FormulaC24H20Cl2O4
Molecular Weight443.33 g/mol
Exact Mass442.07
IUPAC Name2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(Oc3ccc(OCC=C(Cl)Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20Cl2O4/c1-17-2-4-18(5-3-17)23(27)16-29-20-8-12-22(13-9-20)30-21-10-6-19(7-11-21)28-15-14-24(25)26/h2-14H,15-16H2,1H3
InChIKeyUPZZBJFMNMZIEK-UHFFFAOYSA-N
XLogP6.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-phenylethanone
CID 139900449
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-N-(2,2-dimethylpropoxy)propan-2-imine
CID 139900542
N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine
CID 139900522
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone (CID 139900510) is 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc(Oc3ccc(OCC=C(Cl)Cl)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone?
The InChIKey is UPZZBJFMNMZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2O4/c1-17-2-4-18(5-3-17)23(27)16-29-20-8-12-22(13-9-20)30-21-10-6-19(7-11-21)28-15-14-24(25)26/h2-14H,15-16H2,1H3.
What are the key properties of 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone?
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone has a molecular weight of 443.33 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 139900510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).