2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid

C19H14N2O4 — CID 167941258

IUPAC2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccc(C(=O)c3cncnc3)cc2)c1
InChIInChI=1S/C19H14N2O4/c22-18(23)11-25-17-3-1-2-15(8-17)13-4-6-14(7-5-13)19(24)16-9-20-12-21-10-16/h1-10,12H,11H2,(H,22,23)
InChIKeyRZAULOYRNRMYAV-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.84
Rot. Bonds6

About 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid

2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid (PubChem CID 167941258) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid
PubChem CID167941258
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccc(C(=O)c3cncnc3)cc2)c1
InChIInChI=1S/C19H14N2O4/c22-18(23)11-25-17-3-1-2-15(8-17)13-4-6-14(7-5-13)19(24)16-9-20-12-21-10-16/h1-10,12H,11H2,(H,22,23)
InChIKeyRZAULOYRNRMYAV-UHFFFAOYSA-N
XLogP2.84
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
CID 69090482
2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide
CID 39782296
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
2-[3-[[3-(4-methylbenzoyl)pyrrol-1-yl]methyl]phenoxy]acetic acid
CID 71194675
CID 157442056
CID 157442056
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 67428033
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid (CID 167941258) is 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid is O=C(O)COc1cccc(-c2ccc(C(=O)c3cncnc3)cc2)c1.
What is the InChIKey of 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid?
The InChIKey is RZAULOYRNRMYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(23)11-25-17-3-1-2-15(8-17)13-4-6-14(7-5-13)19(24)16-9-20-12-21-10-16/h1-10,12H,11H2,(H,22,23).
What are the key properties of 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid?
2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid has a molecular weight of 334.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 167941258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).