[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol

C16H22N2O2 — CID 66155191

IUPAC[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cncn1C(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-17-7-15(18)9-20-16-12(3)5-14(8-19)6-13(16)4/h5-7,10-11,19H,8-9H2,1-4H3
InChIKeyUAZADXFDCMPETE-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.15
Rot. Bonds5

About [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol

[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol (PubChem CID 66155191) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol
PubChem CID66155191
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cncn1C(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)18-10-17-7-15(18)9-20-16-12(3)5-14(8-19)6-13(16)4/h5-7,10-11,19H,8-9H2,1-4H3
InChIKeyUAZADXFDCMPETE-UHFFFAOYSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 66155308
2-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 107709544
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79159019
3,5-dichloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153254
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141916
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
CID 66154990
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol (CID 66155191) is [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cncn1C(C)C.
What is the InChIKey of [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is UAZADXFDCMPETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-10-17-7-15(18)9-20-16-12(3)5-14(8-19)6-13(16)4/h5-7,10-11,19H,8-9H2,1-4H3.
What are the key properties of [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol?
[3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 274.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 66155191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).