4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid

C20H13NO4 — CID 70478884

IUPAC4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3o2)cc1-c1cccc(O)c1
InChIInChI=1S/C20H13NO4/c22-14-5-3-4-12(10-14)16-11-13(8-9-15(16)20(23)24)19-21-17-6-1-2-7-18(17)25-19/h1-11,22H,(H,23,24)
InChIKeyBJPJZVRZGFHKEI-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.57
Rot. Bonds3

About 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid

4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid (PubChem CID 70478884) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
PubChem CID70478884
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3o2)cc1-c1cccc(O)c1
InChIInChI=1S/C20H13NO4/c22-14-5-3-4-12(10-14)16-11-13(8-9-15(16)20(23)24)19-21-17-6-1-2-7-18(17)25-19/h1-11,22H,(H,23,24)
InChIKeyBJPJZVRZGFHKEI-UHFFFAOYSA-N
XLogP4.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid (CID 70478884) is 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid is O=C(O)c1ccc(-c2nc3ccccc3o2)cc1-c1cccc(O)c1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid?
The InChIKey is BJPJZVRZGFHKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-14-5-3-4-12(10-14)16-11-13(8-9-15(16)20(23)24)19-21-17-6-1-2-7-18(17)25-19/h1-11,22H,(H,23,24).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid?
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid has a molecular weight of 331.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 70478884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).