2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid

C14H15ClN2O4 — CID 43174579

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H15ClN2O4/c1-3-20-10-6-4-5-9(14(18)19)13(10)21-8-12-16-7-11(15)17(12)2/h4-7H,3,8H2,1-2H3,(H,18,19)
InChIKeyIOYFUHDNFUYOSA-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.75
Rot. Bonds6

About 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid

2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid (PubChem CID 43174579) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
PubChem CID43174579
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H15ClN2O4/c1-3-20-10-6-4-5-9(14(18)19)13(10)21-8-12-16-7-11(15)17(12)2/h4-7H,3,8H2,1-2H3,(H,18,19)
InChIKeyIOYFUHDNFUYOSA-UHFFFAOYSA-N
XLogP2.75
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3,5-difluorobenzoic acid
CID 79888562
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43366553
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
CID 107689823
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 115942755
3-ethoxy-2-hydroxybenzoic acid
CID 13026922

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid (CID 43174579) is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid is CCOc1cccc(C(=O)O)c1OCc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid?
The InChIKey is IOYFUHDNFUYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-3-20-10-6-4-5-9(14(18)19)13(10)21-8-12-16-7-11(15)17(12)2/h4-7H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid?
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid has a molecular weight of 310.74 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid is sourced from PubChem (CID 43174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).