[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol

C13H16N2O2 — CID 114204808

IUPAC[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1cccc(CCn2cnc(CO)c2)c1
InChIInChI=1S/C13H16N2O2/c1-17-13-4-2-3-11(7-13)5-6-15-8-12(9-16)14-10-15/h2-4,7-8,10,16H,5-6,9H2,1H3
InChIKeyBJEYZVSMZQHTFZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.63
Rot. Bonds5

About [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol

[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol (PubChem CID 114204808) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
PubChem CID114204808
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1cccc(CCn2cnc(CO)c2)c1
InChIInChI=1S/C13H16N2O2/c1-17-13-4-2-3-11(7-13)5-6-15-8-12(9-16)14-10-15/h2-4,7-8,10,16H,5-6,9H2,1H3
InChIKeyBJEYZVSMZQHTFZ-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
(3-methoxyphenyl)(113C)methanol
CID 11593446
2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
CID 57265773
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
1-methoxy-3-propylbenzene
CID 14270128
5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
CID 172870666
4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol (CID 114204808) is [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol is COc1cccc(CCn2cnc(CO)c2)c1.
What is the InChIKey of [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The InChIKey is BJEYZVSMZQHTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-13-4-2-3-11(7-13)5-6-15-8-12(9-16)14-10-15/h2-4,7-8,10,16H,5-6,9H2,1H3.
What are the key properties of [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol has a molecular weight of 232.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 114204808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).