(4-methoxycarbonylphenyl) 4-phenoxybenzoate

C21H16O5 — CID 2677999

IUPAC(4-methoxycarbonylphenyl) 4-phenoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16O5/c1-24-20(22)15-7-13-19(14-8-15)26-21(23)16-9-11-18(12-10-16)25-17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyVPWOVSQVHNGTOF-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.48
Rot. Bonds5

About (4-methoxycarbonylphenyl) 4-phenoxybenzoate

(4-methoxycarbonylphenyl) 4-phenoxybenzoate (PubChem CID 2677999) has the molecular formula C21H16O5 and a molecular weight of 348.35 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-phenoxybenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-phenoxybenzoate
PubChem CID2677999
Molecular FormulaC21H16O5
Molecular Weight348.35 g/mol
Exact Mass348.10
IUPAC Name(4-methoxycarbonylphenyl) 4-phenoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16O5/c1-24-20(22)15-7-13-19(14-8-15)26-21(23)16-9-11-18(12-10-16)25-17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyVPWOVSQVHNGTOF-UHFFFAOYSA-N
XLogP4.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl (4-phenoxyphenyl) carbonate
CID 19704468
(2,6-dimethoxyphenyl) 4-phenoxybenzoate
CID 7934769

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-phenoxybenzoate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-phenoxybenzoate (CID 2677999) is (4-methoxycarbonylphenyl) 4-phenoxybenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-phenoxybenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-phenoxybenzoate is COC(=O)c1ccc(OC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-phenoxybenzoate?
The InChIKey is VPWOVSQVHNGTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O5/c1-24-20(22)15-7-13-19(14-8-15)26-21(23)16-9-11-18(12-10-16)25-17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of (4-methoxycarbonylphenyl) 4-phenoxybenzoate?
(4-methoxycarbonylphenyl) 4-phenoxybenzoate has a molecular weight of 348.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-phenoxybenzoate is sourced from PubChem (CID 2677999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).