[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol

C13H14F2N2O2 — CID 79887552

IUPAC[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
SMILESOCc1cc(F)c(OCCCn2ccnc2)c(F)c1
InChIInChI=1S/C13H14F2N2O2/c14-11-6-10(8-18)7-12(15)13(11)19-5-1-3-17-4-2-16-9-17/h2,4,6-7,9,18H,1,3,5,8H2
InChIKeyHHRLNCUMAPHPFH-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.12
Rot. Bonds6

About [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol

[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol (PubChem CID 79887552) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
PubChem CID79887552
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol
SMILESOCc1cc(F)c(OCCCn2ccnc2)c(F)c1
InChIInChI=1S/C13H14F2N2O2/c14-11-6-10(8-18)7-12(15)13(11)19-5-1-3-17-4-2-16-9-17/h2,4,6-7,9,18H,1,3,5,8H2
InChIKeyHHRLNCUMAPHPFH-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
[5-(3-imidazol-1-ylpropoxy)-2-pyridinyl]methanol
CID 79794172
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
3-imidazol-1-ylpropyl 5-amino-2,4-difluorobenzoate
CID 61492769

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol (CID 79887552) is [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol is OCc1cc(F)c(OCCCn2ccnc2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol?
The InChIKey is HHRLNCUMAPHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-11-6-10(8-18)7-12(15)13(11)19-5-1-3-17-4-2-16-9-17/h2,4,6-7,9,18H,1,3,5,8H2.
What are the key properties of [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol?
[3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(3-imidazol-1-ylpropoxy)phenyl]methanol is sourced from PubChem (CID 79887552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).