3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol

C13H17F2NO2 — CID 170869741

IUPAC3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1cc(F)c(CCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H17F2NO2/c14-12-8-10(17)9-13(15)11(12)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2
InChIKeySCYYQKRGCLJONL-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.94
Rot. Bonds4

About 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol

3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170869741) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
PubChem CID170869741
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1cc(F)c(CCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H17F2NO2/c14-12-8-10(17)9-13(15)11(12)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2
InChIKeySCYYQKRGCLJONL-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol (CID 170869741) is 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol is Oc1cc(F)c(CCCN2CCOCC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is SCYYQKRGCLJONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-12-8-10(17)9-13(15)11(12)2-1-3-16-4-6-18-7-5-16/h8-9,17H,1-7H2.
What are the key properties of 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol?
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 257.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170869741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).