1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol

C14H18N2O — CID 114272638

IUPAC1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCCn1cnc(C(O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C14H18N2O/c1-3-16-9-13(15-10-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeySBFHDXWEJVHHCI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol

1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol (PubChem CID 114272638) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
PubChem CID114272638
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
SMILESCCn1cnc(C(O)Cc2ccc(C)cc2)c1
InChIInChI=1S/C14H18N2O/c1-3-16-9-13(15-10-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeySBFHDXWEJVHHCI-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114272677
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978119
2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978156
(1-ethylimidazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130508759
2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077364
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
CID 83885100
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978204
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol (CID 114272638) is 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol is CCn1cnc(C(O)Cc2ccc(C)cc2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is SBFHDXWEJVHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-9-13(15-10-16)14(17)8-12-6-4-11(2)5-7-12/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol?
1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 114272638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).