2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol

C13H17Br2NO2 — CID 170869303

IUPAC2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1c(Br)cc(CCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H17Br2NO2/c14-11-8-10(9-12(15)13(11)17)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2
InChIKeyMMXTYPPFGWTIPI-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.18
Rot. Bonds4

About 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol

2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170869303) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
PubChem CID170869303
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1c(Br)cc(CCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H17Br2NO2/c14-11-8-10(9-12(15)13(11)17)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2
InChIKeyMMXTYPPFGWTIPI-UHFFFAOYSA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
CID 170870300
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
CID 170870395
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol (CID 170869303) is 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol is Oc1c(Br)cc(CCCN2CCOCC2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is MMXTYPPFGWTIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c14-11-8-10(9-12(15)13(11)17)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2.
What are the key properties of 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol?
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 379.09 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170869303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).