4-methoxy-2-pyrimidin-4-yloxybenzoic acid

C12H10N2O4 — CID 55134188

IUPAC4-methoxy-2-pyrimidin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccncn2)c1
InChIInChI=1S/C12H10N2O4/c1-17-8-2-3-9(12(15)16)10(6-8)18-11-4-5-13-7-14-11/h2-7H,1H3,(H,15,16)
InChIKeyGRVUNBWHGHQIDT-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.98
Rot. Bonds4

About 4-methoxy-2-pyrimidin-4-yloxybenzoic acid

4-methoxy-2-pyrimidin-4-yloxybenzoic acid (PubChem CID 55134188) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-methoxy-2-pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-pyrimidin-4-yloxybenzoic acid
PubChem CID55134188
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-methoxy-2-pyrimidin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ccncn2)c1
InChIInChI=1S/C12H10N2O4/c1-17-8-2-3-9(12(15)16)10(6-8)18-11-4-5-13-7-14-11/h2-7H,1H3,(H,15,16)
InChIKeyGRVUNBWHGHQIDT-UHFFFAOYSA-N
XLogP1.98
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
CID 62770062
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
5-methoxy-2-pyrimidin-4-yloxyaniline
CID 61253774
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 4-methoxy-2-pyrimidin-4-yloxybenzoic acid (CID 55134188) is 4-methoxy-2-pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 4-methoxy-2-pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 4-methoxy-2-pyrimidin-4-yloxybenzoic acid is COc1ccc(C(=O)O)c(Oc2ccncn2)c1.
What is the InChIKey of 4-methoxy-2-pyrimidin-4-yloxybenzoic acid?
The InChIKey is GRVUNBWHGHQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-8-2-3-9(12(15)16)10(6-8)18-11-4-5-13-7-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methoxy-2-pyrimidin-4-yloxybenzoic acid?
4-methoxy-2-pyrimidin-4-yloxybenzoic acid has a molecular weight of 246.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 55134188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).