(4-methoxyphenyl) 2-(difluoromethoxy)benzoate

C15H12F2O4 — CID 55341813

IUPAC(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
SMILESCOc1ccc(OC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2O4/c1-19-10-6-8-11(9-7-10)20-14(18)12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3
InChIKeyYYILUFVBVGUOAX-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.52
Rot. Bonds5

About (4-methoxyphenyl) 2-(difluoromethoxy)benzoate

(4-methoxyphenyl) 2-(difluoromethoxy)benzoate (PubChem CID 55341813) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
PubChem CID55341813
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
SMILESCOc1ccc(OC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2O4/c1-19-10-6-8-11(9-7-10)20-14(18)12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3
InChIKeyYYILUFVBVGUOAX-UHFFFAOYSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.52
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

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
(3-cyanophenyl) 2-(difluoromethoxy)benzoate
CID 18080102
1-[[2-(difluoromethoxy)benzoyl]amino]-3-(4-methoxyphenyl)thiourea
CID 998449
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
phenyl 2-(1-hydroxypropoxy)benzoate
CID 70565841
(4-butan-2-ylphenyl) 2-methoxybenzoate
CID 23011207
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
phenyl 2-(1,2-dihydroxyethoxy)benzoate
CID 19438474
benzyl 2-(difluoromethoxy)benzoate
CID 55327292

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-(difluoromethoxy)benzoate?
The IUPAC name of (4-methoxyphenyl) 2-(difluoromethoxy)benzoate (CID 55341813) is (4-methoxyphenyl) 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (4-methoxyphenyl) 2-(difluoromethoxy)benzoate?
The canonical SMILES for (4-methoxyphenyl) 2-(difluoromethoxy)benzoate is COc1ccc(OC(=O)c2ccccc2OC(F)F)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-(difluoromethoxy)benzoate?
The InChIKey is YYILUFVBVGUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-19-10-6-8-11(9-7-10)20-14(18)12-4-2-3-5-13(12)21-15(16)17/h2-9,15H,1H3.
What are the key properties of (4-methoxyphenyl) 2-(difluoromethoxy)benzoate?
(4-methoxyphenyl) 2-(difluoromethoxy)benzoate has a molecular weight of 294.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55341813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).