4-(4-phenoxyphenyl)benzoic acid

C19H14O3 — CID 10637227

IUPAC4-(4-phenoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H14O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h1-13H,(H,20,21)
InChIKeySFKNPZYCFSQURQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.84
Rot. Bonds4

About 4-(4-phenoxyphenyl)benzoic acid

4-(4-phenoxyphenyl)benzoic acid (PubChem CID 10637227) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)benzoic acid
PubChem CID10637227
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-(4-phenoxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H14O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h1-13H,(H,20,21)
InChIKeySFKNPZYCFSQURQ-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)benzoic acid?
The IUPAC name of 4-(4-phenoxyphenyl)benzoic acid (CID 10637227) is 4-(4-phenoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-phenoxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-phenoxyphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-phenoxyphenyl)benzoic acid?
The InChIKey is SFKNPZYCFSQURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-19(21)16-8-6-14(7-9-16)15-10-12-18(13-11-15)22-17-4-2-1-3-5-17/h1-13H,(H,20,21).
What are the key properties of 4-(4-phenoxyphenyl)benzoic acid?
4-(4-phenoxyphenyl)benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)benzoic acid is sourced from PubChem (CID 10637227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).