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

C24H28Br2O2 — CID 21466321

IUPAC4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Br)Br
InChIInChI=1S/C24H28Br2O2/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
InChIKeyCTNKHDIKAOFJCO-UHFFFAOYSA-N
MW508.29 g/mol
LogP8.49
Rot. Bonds8

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

4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene (PubChem CID 21466321) has the molecular formula C24H28Br2O2 and a molecular weight of 508.29 g/mol. Its IUPAC name is 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene.

Molecular Properties

Compound Name4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene
PubChem CID21466321
Molecular FormulaC24H28Br2O2
Molecular Weight508.29 g/mol
Exact Mass506.05
IUPAC Name4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene
SMILESCCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Br)Br
InChIInChI=1S/C24H28Br2O2/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
InChIKeyCTNKHDIKAOFJCO-UHFFFAOYSA-N
XLogP8.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.29
LogP ≤ 58.49
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-dibromoprop-2-enoxy)-2-propylbenzene?
The IUPAC name of 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene (CID 21466321) is 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene.
What is the SMILES notation for 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene?
The canonical SMILES for 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene is CCCc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1OCC=C(Br)Br.
What is the InChIKey of 4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene?
The InChIKey is CTNKHDIKAOFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br2O2/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-dibromoprop-2-enoxy)-2-propylbenzene?
4-(4-cyclohexylphenoxy)-1-(3,3-dibromoprop-2-enoxy)-2-propylbenzene has a molecular weight of 508.29 g/mol, XLogP of 8.49, 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-dibromoprop-2-enoxy)-2-propylbenzene is sourced from PubChem (CID 21466321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).