[4-(phenoxymethoxy)phenyl] benzoate

C20H16O4 — CID 20724331

IUPAC[4-(phenoxymethoxy)phenyl] benzoate
SMILESO=C(Oc1ccc(OCOc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16O4/c21-20(16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)23-15-22-17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyUYTPWUWCCLIIER-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.32
Rot. Bonds6

About [4-(phenoxymethoxy)phenyl] benzoate

[4-(phenoxymethoxy)phenyl] benzoate (PubChem CID 20724331) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is [4-(phenoxymethoxy)phenyl] benzoate.

Molecular Properties

Compound Name[4-(phenoxymethoxy)phenyl] benzoate
PubChem CID20724331
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name[4-(phenoxymethoxy)phenyl] benzoate
SMILESO=C(Oc1ccc(OCOc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16O4/c21-20(16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)23-15-22-17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyUYTPWUWCCLIIER-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
[4-(1-phenyl-2-phenyliminoethenyl)phenyl] 4-[[4-(1-phenyl-2-phenyliminoethenyl)phenoxy]methoxy]benzoate
CID 118316888
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
[4-[4-(4-benzoyloxybutoxy)benzoyl]oxyphenyl] 4-(6-benzoyloxyhexoxy)benzoate
CID 67688092
[4-(3,3-dichloroprop-2-enoxy)phenyl] benzoate
CID 18504661
phenyl benzoate;sulfuryl dichloride
CID 162241119
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
(4-phenoxycarbonylphenyl) 4-(2-phenylethynyl)benzoate
CID 20724320

Frequently Asked Questions

What is the IUPAC name of [4-(phenoxymethoxy)phenyl] benzoate?
The IUPAC name of [4-(phenoxymethoxy)phenyl] benzoate (CID 20724331) is [4-(phenoxymethoxy)phenyl] benzoate.
What is the SMILES notation for [4-(phenoxymethoxy)phenyl] benzoate?
The canonical SMILES for [4-(phenoxymethoxy)phenyl] benzoate is O=C(Oc1ccc(OCOc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-(phenoxymethoxy)phenyl] benzoate?
The InChIKey is UYTPWUWCCLIIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-20(16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)23-15-22-17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of [4-(phenoxymethoxy)phenyl] benzoate?
[4-(phenoxymethoxy)phenyl] benzoate has a molecular weight of 320.34 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenoxymethoxy)phenyl] benzoate is sourced from PubChem (CID 20724331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).