4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene

C24H28Cl2O2 — CID 21466497

IUPAC4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Cl)Cl
InChIInChI=1S/C24H28Cl2O2/c1-2-6-20-17-22(13-14-23(20)27-16-15-24(25)26)28-21-11-9-19(10-12-21)18-7-4-3-5-8-18/h9-15,17-18H,2-8,16H2,1H3
InChIKeyRQZMSRYPOYDRIZ-UHFFFAOYSA-N
MW419.39 g/mol
LogP8.18
Rot. Bonds8

About 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene

4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene (PubChem CID 21466497) has the molecular formula C24H28Cl2O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene.

Molecular Properties

Compound Name4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene
PubChem CID21466497
Molecular FormulaC24H28Cl2O2
Molecular Weight419.39 g/mol
Exact Mass418.15
IUPAC Name4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Cl)Cl
InChIInChI=1S/C24H28Cl2O2/c1-2-6-20-17-22(13-14-23(20)27-16-15-24(25)26)28-21-11-9-19(10-12-21)18-7-4-3-5-8-18/h9-15,17-18H,2-8,16H2,1H3
InChIKeyRQZMSRYPOYDRIZ-UHFFFAOYSA-N
XLogP8.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.39
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene?
The IUPAC name of 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene (CID 21466497) is 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene.
What is the SMILES notation for 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene?
The canonical SMILES for 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene is CCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Cl)Cl.
What is the InChIKey of 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene?
The InChIKey is RQZMSRYPOYDRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2O2/c1-2-6-20-17-22(13-14-23(20)27-16-15-24(25)26)28-21-11-9-19(10-12-21)18-7-4-3-5-8-18/h9-15,17-18H,2-8,16H2,1H3.
What are the key properties of 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene?
4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene has a molecular weight of 419.39 g/mol, XLogP of 8.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenoxy)-1-(3,3-dichloroprop-2-enoxy)-2-propylbenzene is sourced from PubChem (CID 21466497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).