2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol

C14H18N2O2 — CID 66154225

IUPAC2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
SMILESCc1c(O)cccc1OCc1cncn1C(C)C
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-15-7-12(16)8-18-14-6-4-5-13(17)11(14)3/h4-7,9-10,17H,8H2,1-3H3
InChIKeySVWSNSSVKXQOFS-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol

2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol (PubChem CID 66154225) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
PubChem CID66154225
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
SMILESCc1c(O)cccc1OCc1cncn1C(C)C
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-15-7-12(16)8-18-14-6-4-5-13(17)11(14)3/h4-7,9-10,17H,8H2,1-3H3
InChIKeySVWSNSSVKXQOFS-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79159019
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 66152504
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79151176
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol?
The IUPAC name of 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol (CID 66154225) is 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol.
What is the SMILES notation for 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol?
The canonical SMILES for 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol is Cc1c(O)cccc1OCc1cncn1C(C)C.
What is the InChIKey of 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol?
The InChIKey is SVWSNSSVKXQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)16-9-15-7-12(16)8-18-14-6-4-5-13(17)11(14)3/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol?
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol has a molecular weight of 246.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol is sourced from PubChem (CID 66154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).