3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol

C12H13FN2O — CID 90075621

IUPAC3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol
SMILESCn1cncc1CCc1cc(O)cc(F)c1
InChIInChI=1S/C12H13FN2O/c1-15-8-14-7-11(15)3-2-9-4-10(13)6-12(16)5-9/h4-8,16H,2-3H2,1H3
InChIKeyOJMBMYLUXQBZCA-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.05
Rot. Bonds3

About 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol

3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol (PubChem CID 90075621) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol
PubChem CID90075621
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol
SMILESCn1cncc1CCc1cc(O)cc(F)c1
InChIInChI=1S/C12H13FN2O/c1-15-8-14-7-11(15)3-2-9-4-10(13)6-12(16)5-9/h4-8,16H,2-3H2,1H3
InChIKeyOJMBMYLUXQBZCA-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
Phenol, 2-[1-[[3-(1H-imidazol-1-yl)propyl]imino]ethyl]-
CID 136448550
3-{1-[methyl({[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl})amino]ethyl}phenol
CID 56787422
4-[(2-amino-1H-imidazol-5-yl)methyl]phenol
CID 25029057
Isonaamine A
CID 11087724
2-Naphthalenol, 5,6-dihydro-7-(1H-imidazol-1-yl)-
CID 3021562
6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronaphthalen-2-ol
CID 23644749
4-[2-(3-Methylimidazol-3-ium-1-yl)ethyl]phenol chloride
CID 13948308
2-(2-Amino-1-pentylimidazol-4-yl)phenol;hydrochloride
CID 162673768
5,6-Dihydro-8-(4-hydroxypheny)-3-methylimidazo[1,5-a]pyridine
CID 10977186
2-(1-(3,3-dimethylbutyl)-1H-imidazol-5-yl)phenol
CID 44468002

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol?
The IUPAC name of 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol (CID 90075621) is 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol is Cn1cncc1CCc1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol?
The InChIKey is OJMBMYLUXQBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-8-14-7-11(15)3-2-9-4-10(13)6-12(16)5-9/h4-8,16H,2-3H2,1H3.
What are the key properties of 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol?
3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol has a molecular weight of 220.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol is sourced from PubChem (CID 90075621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).