2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol

C15H18N2O4 — CID 146042201

IUPAC2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nccn2[C@H]2COC[C@@H]2OC)cc1O
InChIInChI=1S/C15H18N2O4/c1-19-13-4-3-10(7-12(13)18)15-16-5-6-17(15)11-8-21-9-14(11)20-2/h3-7,11,14,18H,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyOEXPYFHDYDQGBX-FZMZJTMJSA-N
MW290.32 g/mol
LogP1.85
Rot. Bonds4

About 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol

2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol (PubChem CID 146042201) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
PubChem CID146042201
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nccn2[C@H]2COC[C@@H]2OC)cc1O
InChIInChI=1S/C15H18N2O4/c1-19-13-4-3-10(7-12(13)18)15-16-5-6-17(15)11-8-21-9-14(11)20-2/h3-7,11,14,18H,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyOEXPYFHDYDQGBX-FZMZJTMJSA-N
XLogP1.85
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
4-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
(3R,3aR,6R,6aR)-3-[2-[3-methoxy-4-(2-methylpropoxy)phenyl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165419054
4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 165426040
formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 155939260
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
CID 146042373
N-ethyl-N-[[2-methoxy-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]ethanamine;formic acid
CID 163335096

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol (CID 146042201) is 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol is COc1ccc(-c2nccn2[C@H]2COC[C@@H]2OC)cc1O.
What is the InChIKey of 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol?
The InChIKey is OEXPYFHDYDQGBX-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-13-4-3-10(7-12(13)18)15-16-5-6-17(15)11-8-21-9-14(11)20-2/h3-7,11,14,18H,8-9H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol?
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol has a molecular weight of 290.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol is sourced from PubChem (CID 146042201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).