4-(4-benzhydryloxybenzoyl)benzoic acid

C27H20O4 — CID 11509747

IUPAC4-(4-benzhydryloxybenzoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H20O4/c28-25(19-11-13-23(14-12-19)27(29)30)20-15-17-24(18-16-20)31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,(H,29,30)
InChIKeyRSHGTUVDNJDFHP-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.78
Rot. Bonds7

About 4-(4-benzhydryloxybenzoyl)benzoic acid

4-(4-benzhydryloxybenzoyl)benzoic acid (PubChem CID 11509747) has the molecular formula C27H20O4 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(4-benzhydryloxybenzoyl)benzoic acid.

Molecular Properties

Compound Name4-(4-benzhydryloxybenzoyl)benzoic acid
PubChem CID11509747
Molecular FormulaC27H20O4
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Name4-(4-benzhydryloxybenzoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H20O4/c28-25(19-11-13-23(14-12-19)27(29)30)20-15-17-24(18-16-20)31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,(H,29,30)
InChIKeyRSHGTUVDNJDFHP-UHFFFAOYSA-N
XLogP5.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydryloxybenzoyl)benzoic acid?
The IUPAC name of 4-(4-benzhydryloxybenzoyl)benzoic acid (CID 11509747) is 4-(4-benzhydryloxybenzoyl)benzoic acid.
What is the SMILES notation for 4-(4-benzhydryloxybenzoyl)benzoic acid?
The canonical SMILES for 4-(4-benzhydryloxybenzoyl)benzoic acid is O=C(O)c1ccc(C(=O)c2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-benzhydryloxybenzoyl)benzoic acid?
The InChIKey is RSHGTUVDNJDFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O4/c28-25(19-11-13-23(14-12-19)27(29)30)20-15-17-24(18-16-20)31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,(H,29,30).
What are the key properties of 4-(4-benzhydryloxybenzoyl)benzoic acid?
4-(4-benzhydryloxybenzoyl)benzoic acid has a molecular weight of 408.45 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydryloxybenzoyl)benzoic acid is sourced from PubChem (CID 11509747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).