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

C15H20N2O3 — CID 82001790

IUPAC(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCn2ccnc2C)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)14-5-4-13(19-3)10-15(14)20-9-8-17-7-6-16-12(17)2/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyOTMZGPPDBLVZRW-NSHDSACASA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds6

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

(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol (PubChem CID 82001790) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
PubChem CID82001790
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCn2ccnc2C)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)14-5-4-13(19-3)10-15(14)20-9-8-17-7-6-16-12(17)2/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyOTMZGPPDBLVZRW-NSHDSACASA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
CID 2935561
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[2-[2-(2-methylimidazol-1-yl)ethoxy]-5-nitrophenyl]ethanol
CID 104890022
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16781353
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol (CID 82001790) is (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol is COc1ccc([C@H](C)O)c(OCCn2ccnc2C)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
The InChIKey is OTMZGPPDBLVZRW-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)14-5-4-13(19-3)10-15(14)20-9-8-17-7-6-16-12(17)2/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol?
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 82001790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).