1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol

C14H18N2O — CID 66132887

IUPAC1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
SMILESCCn1cncc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-3-16-10-15-9-13(16)14(17)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyVADUUCYYCFXPBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol

1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol (PubChem CID 66132887) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
PubChem CID66132887
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
SMILESCCn1cncc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-3-16-10-15-9-13(16)14(17)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyVADUUCYYCFXPBX-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

2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol (CID 66132887) is 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol is CCn1cncc1C(O)Cc1cccc(C)c1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is VADUUCYYCFXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-10-15-9-13(16)14(17)8-12-6-4-5-11(2)7-12/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol?
1-(3-ethylimidazol-4-yl)-2-(3-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-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 66132887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).