1-(1-ethylimidazol-2-yl)-2-phenylethanol

C13H16N2O — CID 63976496

IUPAC1-(1-ethylimidazol-2-yl)-2-phenylethanol
SMILESCCn1ccnc1C(O)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-15-9-8-14-13(15)12(16)10-11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3
InChIKeyFMBAQDVNFYMRAD-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-phenylethanol

1-(1-ethylimidazol-2-yl)-2-phenylethanol (PubChem CID 63976496) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-phenylethanol
PubChem CID63976496
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-ethylimidazol-2-yl)-2-phenylethanol
SMILESCCn1ccnc1C(O)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-15-9-8-14-13(15)12(16)10-11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3
InChIKeyFMBAQDVNFYMRAD-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975016
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105099050
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylethanol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylethanol (CID 63976496) is 1-(1-ethylimidazol-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-phenylethanol is CCn1ccnc1C(O)Cc1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-phenylethanol?
The InChIKey is FMBAQDVNFYMRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-15-9-8-14-13(15)12(16)10-11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-phenylethanol?
1-(1-ethylimidazol-2-yl)-2-phenylethanol has a molecular weight of 216.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-phenylethanol is sourced from PubChem (CID 63976496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).