(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol

C14H18N2O2 — CID 55191298

IUPAC(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
SMILESCc1nccn1CCOc1cccc([C@H](C)O)c1
InChIInChI=1S/C14H18N2O2/c1-11(17)13-4-3-5-14(10-13)18-9-8-16-7-6-15-12(16)2/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDKQRYYDQOWHMMQ-NSHDSACASA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds5

About (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol

(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol (PubChem CID 55191298) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
PubChem CID55191298
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
SMILESCc1nccn1CCOc1cccc([C@H](C)O)c1
InChIInChI=1S/C14H18N2O2/c1-11(17)13-4-3-5-14(10-13)18-9-8-16-7-6-15-12(16)2/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDKQRYYDQOWHMMQ-NSHDSACASA-N
XLogP2.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
1-[2-[3-(3-chloroprop-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493662
3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493808
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 61493250
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol (CID 55191298) is (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol is Cc1nccn1CCOc1cccc([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The InChIKey is DKQRYYDQOWHMMQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)13-4-3-5-14(10-13)18-9-8-16-7-6-15-12(16)2/h3-7,10-11,17H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 55191298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).