(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol

C14H18N2O4 — CID 1090501

IUPAC(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESCOc1cc(OC)cc(OC[C@H](O)Cn2ccnc2)c1
InChIInChI=1S/C14H18N2O4/c1-18-12-5-13(19-2)7-14(6-12)20-9-11(17)8-16-4-3-15-10-16/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyRCWLSWVWDFRZTJ-LLVKDONJSA-N
MW278.31 g/mol
LogP1.34
Rot. Bonds7

About (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol

(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 1090501) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID1090501
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESCOc1cc(OC)cc(OC[C@H](O)Cn2ccnc2)c1
InChIInChI=1S/C14H18N2O4/c1-18-12-5-13(19-2)7-14(6-12)20-9-11(17)8-16-4-3-15-10-16/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyRCWLSWVWDFRZTJ-LLVKDONJSA-N
XLogP1.34
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
(2R)-1-(3,5-dimethylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 25421946
1-[2,6-dichloro-4-[2-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 170373739

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol (CID 1090501) is (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol is COc1cc(OC)cc(OC[C@H](O)Cn2ccnc2)c1.
What is the InChIKey of (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is RCWLSWVWDFRZTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-18-12-5-13(19-2)7-14(6-12)20-9-11(17)8-16-4-3-15-10-16/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol?
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 278.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 1090501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).