1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene

C17H12Br4O2 — CID 54482640

IUPAC1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene
SMILESBrc1cccc(Br)c1OC1=C(Oc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C17H12Br4O2/c18-10-4-1-5-11(19)16(10)22-14-8-3-9-15(14)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2
InChIKeyXQCICPHRWXIQSG-UHFFFAOYSA-N
MW567.90 g/mol
LogP7.59
Rot. Bonds4

About 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene

1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene (PubChem CID 54482640) has the molecular formula C17H12Br4O2 and a molecular weight of 567.90 g/mol. Its IUPAC name is 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene.

Molecular Properties

Compound Name1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene
PubChem CID54482640
Molecular FormulaC17H12Br4O2
Molecular Weight567.90 g/mol
Exact Mass563.76
IUPAC Name1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene
SMILESBrc1cccc(Br)c1OC1=C(Oc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C17H12Br4O2/c18-10-4-1-5-11(19)16(10)22-14-8-3-9-15(14)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2
InChIKeyXQCICPHRWXIQSG-UHFFFAOYSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.90
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene?
The IUPAC name of 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene (CID 54482640) is 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene.
What is the SMILES notation for 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene?
The canonical SMILES for 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene is Brc1cccc(Br)c1OC1=C(Oc2c(Br)cccc2Br)CCC1.
What is the InChIKey of 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene?
The InChIKey is XQCICPHRWXIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br4O2/c18-10-4-1-5-11(19)16(10)22-14-8-3-9-15(14)23-17-12(20)6-2-7-13(17)21/h1-2,4-7H,3,8-9H2.
What are the key properties of 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene?
1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene has a molecular weight of 567.90 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[2-(2,6-dibromophenoxy)cyclopenten-1-yl]oxybenzene is sourced from PubChem (CID 54482640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).