2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid

C15H16N2O4 — CID 66153089

IUPAC2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2cncn2C2CC2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-4-5-13(15(18)19)14(6-12)21-8-11-7-16-9-17(11)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,19)
InChIKeyDAYBSKTYMIBTPT-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.50
Rot. Bonds6

About 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid

2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid (PubChem CID 66153089) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
PubChem CID66153089
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2cncn2C2CC2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-4-5-13(15(18)19)14(6-12)21-8-11-7-16-9-17(11)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,19)
InChIKeyDAYBSKTYMIBTPT-UHFFFAOYSA-N
XLogP2.50
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154595
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
CID 66152904
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid (CID 66153089) is 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCc2cncn2C2CC2)c1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid?
The InChIKey is DAYBSKTYMIBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-12-4-5-13(15(18)19)14(6-12)21-8-11-7-16-9-17(11)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid?
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 66153089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).