[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol

C13H15ClN2O2 — CID 114528359

IUPAC[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
SMILESCn1ccnc1CCOc1ccc(CO)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-16-6-5-15-13(16)4-7-18-12-3-2-10(9-17)8-11(12)14/h2-3,5-6,8,17H,4,7,9H2,1H3
InChIKeyJXHNHMMPXUBUDC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.19
Rot. Bonds5

About [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol

[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol (PubChem CID 114528359) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
PubChem CID114528359
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
SMILESCn1ccnc1CCOc1ccc(CO)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-16-6-5-15-13(16)4-7-18-12-3-2-10(9-17)8-11(12)14/h2-3,5-6,8,17H,4,7,9H2,1H3
InChIKeyJXHNHMMPXUBUDC-UHFFFAOYSA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528422
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056352

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol (CID 114528359) is [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol is Cn1ccnc1CCOc1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
The InChIKey is JXHNHMMPXUBUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-16-6-5-15-13(16)4-7-18-12-3-2-10(9-17)8-11(12)14/h2-3,5-6,8,17H,4,7,9H2,1H3.
What are the key properties of [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol?
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 114528359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).