2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid

C18H13NO4 — CID 164853821

IUPAC2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C18H13NO4/c20-17-9-12(6-7-16(17)18(21)22)13-8-15(11-19-10-13)23-14-4-2-1-3-5-14/h1-11,20H,(H,21,22)
InChIKeyQCEGCKHNSSSETG-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.94
Rot. Bonds4

About 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid

2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid (PubChem CID 164853821) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid
PubChem CID164853821
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O
InChIInChI=1S/C18H13NO4/c20-17-9-12(6-7-16(17)18(21)22)13-8-15(11-19-10-13)23-14-4-2-1-3-5-14/h1-11,20H,(H,21,22)
InChIKeyQCEGCKHNSSSETG-UHFFFAOYSA-N
XLogP3.94
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid (CID 164853821) is 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2cncc(Oc3ccccc3)c2)cc1O.
What is the InChIKey of 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid?
The InChIKey is QCEGCKHNSSSETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-17-9-12(6-7-16(17)18(21)22)13-8-15(11-19-10-13)23-14-4-2-1-3-5-14/h1-11,20H,(H,21,22).
What are the key properties of 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid?
2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 164853821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).