(3,5-difluorophenyl) 3-methoxybenzoate

C14H10F2O3 — CID 530761

IUPAC(3,5-difluorophenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H10F2O3/c1-18-12-4-2-3-9(5-12)14(17)19-13-7-10(15)6-11(16)8-13/h2-8H,1H3
InChIKeyUZLPHBILZBPAOU-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.19
Rot. Bonds3

About (3,5-difluorophenyl) 3-methoxybenzoate

(3,5-difluorophenyl) 3-methoxybenzoate (PubChem CID 530761) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is (3,5-difluorophenyl) 3-methoxybenzoate.

Molecular Properties

Compound Name(3,5-difluorophenyl) 3-methoxybenzoate
PubChem CID530761
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name(3,5-difluorophenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H10F2O3/c1-18-12-4-2-3-9(5-12)14(17)19-13-7-10(15)6-11(16)8-13/h2-8H,1H3
InChIKeyUZLPHBILZBPAOU-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Phenoxybenzoic acid
CID 19539
3-Phenoxybenzaldehyde
CID 38284
Eugenyl benzoate
CID 62362
Phenyl benzoate
CID 7169
3-Methoxybenzoic Acid
CID 11461
4-Fluoro-3-phenoxybenzoic acid
CID 157032
p-Cresol benzoate
CID 11962
3-Methoxyacetophenone
CID 11460
2-(Phenoxymethyl)benzoic acid
CID 69761
3-Tolyl phenylacetate
CID 67146
Wzb117
CID 46830365
Ethanone, 1-(3-phenoxyphenyl)-
CID 36249

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) 3-methoxybenzoate?
The IUPAC name of (3,5-difluorophenyl) 3-methoxybenzoate (CID 530761) is (3,5-difluorophenyl) 3-methoxybenzoate.
What is the SMILES notation for (3,5-difluorophenyl) 3-methoxybenzoate?
The canonical SMILES for (3,5-difluorophenyl) 3-methoxybenzoate is COc1cccc(C(=O)Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of (3,5-difluorophenyl) 3-methoxybenzoate?
The InChIKey is UZLPHBILZBPAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-18-12-4-2-3-9(5-12)14(17)19-13-7-10(15)6-11(16)8-13/h2-8H,1H3.
What are the key properties of (3,5-difluorophenyl) 3-methoxybenzoate?
(3,5-difluorophenyl) 3-methoxybenzoate has a molecular weight of 264.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) 3-methoxybenzoate is sourced from PubChem (CID 530761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).