[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol

C13H14F2N2O2 — CID 79888570

IUPAC[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESCCn1ccnc1COc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-2-17-4-3-16-12(17)8-19-13-10(14)5-9(7-18)6-11(13)15/h3-6,18H,2,7-8H2,1H3
InChIKeyOKCCYPJJNDUIKD-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.25
Rot. Bonds5

About [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol

[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol (PubChem CID 79888570) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
PubChem CID79888570
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESCCn1ccnc1COc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-2-17-4-3-16-12(17)8-19-13-10(14)5-9(7-18)6-11(13)15/h3-6,18H,2,7-8H2,1H3
InChIKeyOKCCYPJJNDUIKD-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 62735495
[5-[(1-ethylimidazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79799356
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol
CID 107739065
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
5,11,17,23,29,35-hexatert-butyl-38,40,42-tris[(1-ethylimidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,39,41-triol
CID 101116096
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887881
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]-5-methoxybenzoic acid
CID 62737339
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol (CID 79888570) is [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol is CCn1ccnc1COc1c(F)cc(CO)cc1F.
What is the InChIKey of [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol?
The InChIKey is OKCCYPJJNDUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-17-4-3-16-12(17)8-19-13-10(14)5-9(7-18)6-11(13)15/h3-6,18H,2,7-8H2,1H3.
What are the key properties of [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol?
[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79888570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).