2,6-dibromo-4-(1-propylazetidin-3-yl)phenol

C12H15Br2NO — CID 15941159

IUPAC2,6-dibromo-4-(1-propylazetidin-3-yl)phenol
SMILESCCCN1CC(c2cc(Br)c(O)c(Br)c2)C1
InChIInChI=1S/C12H15Br2NO/c1-2-3-15-6-9(7-15)8-4-10(13)12(16)11(14)5-8/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyKXOSLTRTQGRZGN-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.73
Rot. Bonds3

About 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol

2,6-dibromo-4-(1-propylazetidin-3-yl)phenol (PubChem CID 15941159) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(1-propylazetidin-3-yl)phenol
PubChem CID15941159
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2,6-dibromo-4-(1-propylazetidin-3-yl)phenol
SMILESCCCN1CC(c2cc(Br)c(O)c(Br)c2)C1
InChIInChI=1S/C12H15Br2NO/c1-2-3-15-6-9(7-15)8-4-10(13)12(16)11(14)5-8/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyKXOSLTRTQGRZGN-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol (CID 15941159) is 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol is CCCN1CC(c2cc(Br)c(O)c(Br)c2)C1.
What is the InChIKey of 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol?
The InChIKey is KXOSLTRTQGRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-2-3-15-6-9(7-15)8-4-10(13)12(16)11(14)5-8/h4-5,9,16H,2-3,6-7H2,1H3.
What are the key properties of 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol?
2,6-dibromo-4-(1-propylazetidin-3-yl)phenol has a molecular weight of 349.07 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(1-propylazetidin-3-yl)phenol is sourced from PubChem (CID 15941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).