[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol

C15H20N2O2 — CID 66155308

IUPAC[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCCn1cncc1COc1c(C)cc(CO)cc1C
InChIInChI=1S/C15H20N2O2/c1-4-17-10-16-7-14(17)9-19-15-11(2)5-13(8-18)6-12(15)3/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyCWBRPILDUHIJOS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds5

About [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 66155308) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID66155308
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCCn1cncc1COc1c(C)cc(CO)cc1C
InChIInChI=1S/C15H20N2O2/c1-4-17-10-16-7-14(17)9-19-15-11(2)5-13(8-18)6-12(15)3/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyCWBRPILDUHIJOS-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol (CID 66155308) is [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol is CCn1cncc1COc1c(C)cc(CO)cc1C.
What is the InChIKey of [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is CWBRPILDUHIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-10-16-7-14(17)9-19-15-11(2)5-13(8-18)6-12(15)3/h5-7,10,18H,4,8-9H2,1-3H3.
What are the key properties of [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 260.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 66155308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).