(4-acetyloxy-3,5-diphenylphenyl) acetate

C22H18O4 — CID 12507854

IUPAC(4-acetyloxy-3,5-diphenylphenyl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)c(OC(C)=O)c(-c2ccccc2)c1
InChIInChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyCRDNNJLHCXVFKI-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.87
Rot. Bonds4

About (4-acetyloxy-3,5-diphenylphenyl) acetate

(4-acetyloxy-3,5-diphenylphenyl) acetate (PubChem CID 12507854) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (4-acetyloxy-3,5-diphenylphenyl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3,5-diphenylphenyl) acetate
PubChem CID12507854
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(4-acetyloxy-3,5-diphenylphenyl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)c(OC(C)=O)c(-c2ccccc2)c1
InChIInChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyCRDNNJLHCXVFKI-UHFFFAOYSA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Cyclofenil
CID 2898
Carvacryl acetate
CID 80792
Acetomenaphthone
CID 11310
Thymol acetate
CID 68252
1-Naphthyl acetate
CID 13247
Dienestrol diacetate
CID 5805243
4,4'-(1,2-Diethylethylene)diphenyl dipropionate
CID 107342
Phenol, 4,4'-(1-methylethylidene)bis-, 1,1'-diacetate
CID 82437
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
6-Methoxy-4-methylcoumarin
CID 223821
1,4-Diacetoxynaphthalene
CID 79775
(1,1'-Biphenyl)-2,5-diol, 2,5-diacetate
CID 94584

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3,5-diphenylphenyl) acetate?
The IUPAC name of (4-acetyloxy-3,5-diphenylphenyl) acetate (CID 12507854) is (4-acetyloxy-3,5-diphenylphenyl) acetate.
What is the SMILES notation for (4-acetyloxy-3,5-diphenylphenyl) acetate?
The canonical SMILES for (4-acetyloxy-3,5-diphenylphenyl) acetate is CC(=O)Oc1cc(-c2ccccc2)c(OC(C)=O)c(-c2ccccc2)c1.
What is the InChIKey of (4-acetyloxy-3,5-diphenylphenyl) acetate?
The InChIKey is CRDNNJLHCXVFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of (4-acetyloxy-3,5-diphenylphenyl) acetate?
(4-acetyloxy-3,5-diphenylphenyl) acetate has a molecular weight of 346.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3,5-diphenylphenyl) acetate is sourced from PubChem (CID 12507854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).