(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

C15H20N2O3 — CID 104934275

IUPAC(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20N2O3/c1-11(18)12-4-5-13(14(10-12)19-3)20-9-6-15-16-7-8-17(15)2/h4-5,7-8,10-11,18H,6,9H2,1-3H3/t11-/m0/s1
InChIKeyIXMYAORPLPWELN-NSHDSACASA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds6

About (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (PubChem CID 104934275) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
PubChem CID104934275
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20N2O3/c1-11(18)12-4-5-13(14(10-12)19-3)20-9-6-15-16-7-8-17(15)2/h4-5,7-8,10-11,18H,6,9H2,1-3H3/t11-/m0/s1
InChIKeyIXMYAORPLPWELN-NSHDSACASA-N
XLogP2.10
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528014
[5-methoxy-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boronic acid
CID 114528534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (CID 104934275) is (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is COc1cc([C@H](C)O)ccc1OCCc1nccn1C.
What is the InChIKey of (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The InChIKey is IXMYAORPLPWELN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)12-4-5-13(14(10-12)19-3)20-9-6-15-16-7-8-17(15)2/h4-5,7-8,10-11,18H,6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 104934275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).