2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid

C20H17NO4 — CID 59803473

IUPAC2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)cn1
InChIInChI=1S/C20H17NO4/c1-24-19-9-8-16(13-21-19)15-5-3-7-18(12-15)25-17-6-2-4-14(10-17)11-20(22)23/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyIWZMRYNTCBBNDW-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.18
Rot. Bonds6

About 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid

2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid (PubChem CID 59803473) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
PubChem CID59803473
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)cn1
InChIInChI=1S/C20H17NO4/c1-24-19-9-8-16(13-21-19)15-5-3-7-18(12-15)25-17-6-2-4-14(10-17)11-20(22)23/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyIWZMRYNTCBBNDW-UHFFFAOYSA-N
XLogP4.18
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
5-(6-methoxy-3-pyridinyl)-2-phenoxypyrimidine
CID 146597513
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid (CID 59803473) is 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid is COc1ccc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)cn1.
What is the InChIKey of 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid?
The InChIKey is IWZMRYNTCBBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-19-9-8-16(13-21-19)15-5-3-7-18(12-15)25-17-6-2-4-14(10-17)11-20(22)23/h2-10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid?
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 59803473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).