4-(3-phenylmethoxybenzoyl)benzoic acid

C21H16O4 — CID 11702714

IUPAC4-(3-phenylmethoxybenzoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H16O4/c22-20(16-9-11-17(12-10-16)21(23)24)18-7-4-8-19(13-18)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)
InChIKeyUBSDFPUNDIGYKJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.19
Rot. Bonds6

About 4-(3-phenylmethoxybenzoyl)benzoic acid

4-(3-phenylmethoxybenzoyl)benzoic acid (PubChem CID 11702714) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(3-phenylmethoxybenzoyl)benzoic acid.

Molecular Properties

Compound Name4-(3-phenylmethoxybenzoyl)benzoic acid
PubChem CID11702714
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name4-(3-phenylmethoxybenzoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H16O4/c22-20(16-9-11-17(12-10-16)21(23)24)18-7-4-8-19(13-18)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)
InChIKeyUBSDFPUNDIGYKJ-UHFFFAOYSA-N
XLogP4.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxybenzoyl)benzoic acid?
The IUPAC name of 4-(3-phenylmethoxybenzoyl)benzoic acid (CID 11702714) is 4-(3-phenylmethoxybenzoyl)benzoic acid.
What is the SMILES notation for 4-(3-phenylmethoxybenzoyl)benzoic acid?
The canonical SMILES for 4-(3-phenylmethoxybenzoyl)benzoic acid is O=C(O)c1ccc(C(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(3-phenylmethoxybenzoyl)benzoic acid?
The InChIKey is UBSDFPUNDIGYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-20(16-9-11-17(12-10-16)21(23)24)18-7-4-8-19(13-18)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24).
What are the key properties of 4-(3-phenylmethoxybenzoyl)benzoic acid?
4-(3-phenylmethoxybenzoyl)benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxybenzoyl)benzoic acid is sourced from PubChem (CID 11702714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).