3-fluoro-4-(3-morpholin-4-ylpropyl)phenol

C13H18FNO2 — CID 170869738

IUPAC3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1ccc(CCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c14-13-10-12(16)4-3-11(13)2-1-5-15-6-8-17-9-7-15/h3-4,10,16H,1-2,5-9H2
InChIKeyTZNXNHDNMDBGEN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.80
Rot. Bonds4

About 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol

3-fluoro-4-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170869738) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
PubChem CID170869738
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
SMILESOc1ccc(CCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c14-13-10-12(16)4-3-11(13)2-1-5-15-6-8-17-9-7-15/h3-4,10,16H,1-2,5-9H2
InChIKeyTZNXNHDNMDBGEN-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol (CID 170869738) is 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol is Oc1ccc(CCCN2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is TZNXNHDNMDBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-13-10-12(16)4-3-11(13)2-1-5-15-6-8-17-9-7-15/h3-4,10,16H,1-2,5-9H2.
What are the key properties of 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol?
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 239.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170869738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).