(2,6-dimethoxyphenyl) 4-phenoxybenzoate

C21H18O5 — CID 7934769

IUPAC(2,6-dimethoxyphenyl) 4-phenoxybenzoate
SMILESCOc1cccc(OC)c1OC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18O5/c1-23-18-9-6-10-19(24-2)20(18)26-21(22)15-11-13-17(14-12-15)25-16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyPYKNTVXASMUNTN-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.72
Rot. Bonds6

About (2,6-dimethoxyphenyl) 4-phenoxybenzoate

(2,6-dimethoxyphenyl) 4-phenoxybenzoate (PubChem CID 7934769) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 4-phenoxybenzoate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 4-phenoxybenzoate
PubChem CID7934769
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name(2,6-dimethoxyphenyl) 4-phenoxybenzoate
SMILESCOc1cccc(OC)c1OC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18O5/c1-23-18-9-6-10-19(24-2)20(18)26-21(22)15-11-13-17(14-12-15)25-16-7-4-3-5-8-16/h3-14H,1-2H3
InChIKeyPYKNTVXASMUNTN-UHFFFAOYSA-N
XLogP4.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.72
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-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
(4-formyl-2,6-dimethoxyphenyl) 4-methoxybenzoate
CID 820017
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
(2,6-dimethoxyphenyl) 3-bromobenzoate
CID 2552301
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
CID 7921133
[4-[2-(2,6-dimethoxyphenoxy)-3-hydroxypropanoyl]-2,6-dimethoxyphenyl] benzoate
CID 100998359
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 4-phenoxybenzoate?
The IUPAC name of (2,6-dimethoxyphenyl) 4-phenoxybenzoate (CID 7934769) is (2,6-dimethoxyphenyl) 4-phenoxybenzoate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 4-phenoxybenzoate?
The canonical SMILES for (2,6-dimethoxyphenyl) 4-phenoxybenzoate is COc1cccc(OC)c1OC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2,6-dimethoxyphenyl) 4-phenoxybenzoate?
The InChIKey is PYKNTVXASMUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-23-18-9-6-10-19(24-2)20(18)26-21(22)15-11-13-17(14-12-15)25-16-7-4-3-5-8-16/h3-14H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl) 4-phenoxybenzoate?
(2,6-dimethoxyphenyl) 4-phenoxybenzoate has a molecular weight of 350.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 4-phenoxybenzoate is sourced from PubChem (CID 7934769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).