(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol

C18H20N2O3 — CID 95871298

IUPAC(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2ccnc2-c2ccco2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-6-16(14(2)10-13)23-12-15(21)11-20-8-7-19-18(20)17-4-3-9-22-17/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyBGJMZEBFUYLKNE-OAHLLOKOSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds6

About (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol

(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol (PubChem CID 95871298) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol
PubChem CID95871298
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2ccnc2-c2ccco2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-6-16(14(2)10-13)23-12-15(21)11-20-8-7-19-18(20)17-4-3-9-22-17/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyBGJMZEBFUYLKNE-OAHLLOKOSA-N
XLogP3.20
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
CID 109411510
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 112797314
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol (CID 95871298) is (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol is Cc1ccc(OC[C@H](O)Cn2ccnc2-c2ccco2)c(C)c1.
What is the InChIKey of (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol?
The InChIKey is BGJMZEBFUYLKNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-6-16(14(2)10-13)23-12-15(21)11-20-8-7-19-18(20)17-4-3-9-22-17/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol?
(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol has a molecular weight of 312.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 95871298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).