4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid

C15H18N2O4 — CID 66154595

IUPAC4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O4/c1-10(2)17-9-16-7-11(17)8-21-14-6-12(20-3)4-5-13(14)15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyRJAYZZVSQMRCJW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid (PubChem CID 66154595) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
PubChem CID66154595
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O4/c1-10(2)17-9-16-7-11(17)8-21-14-6-12(20-3)4-5-13(14)15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyRJAYZZVSQMRCJW-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 ≤ 500290.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
CID 66154990

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid (CID 66154595) is 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid is COc1ccc(C(=O)O)c(OCc2cncn2C(C)C)c1.
What is the InChIKey of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
The InChIKey is RJAYZZVSQMRCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(2)17-9-16-7-11(17)8-21-14-6-12(20-3)4-5-13(14)15(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid?
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid has a molecular weight of 290.32 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 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 66154595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).