(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate

C16H14F2O4 — CID 78780409

IUPAC(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2O4/c1-10-3-8-13(14(9-10)20-2)22-15(19)11-4-6-12(7-5-11)21-16(17)18/h3-9,16H,1-2H3
InChIKeyXOJSTGMFFYHAAW-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.82
Rot. Bonds5

About (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate

(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate (PubChem CID 78780409) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
PubChem CID78780409
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2O4/c1-10-3-8-13(14(9-10)20-2)22-15(19)11-4-6-12(7-5-11)21-16(17)18/h3-9,16H,1-2H3
InChIKeyXOJSTGMFFYHAAW-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.82
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

bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
(5-methyl-2-propan-2-ylphenyl) 4-(difluoromethoxy)benzoate
CID 2461110
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
[3-methoxy-2-[2-methoxy-6-[4-(4-methoxyphenyl)benzoyl]oxy-4-methylphenyl]-5-methylphenyl] 4-(4-methoxyphenyl)benzoate
CID 89118190
(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate
CID 7934887
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3828585

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate?
The IUPAC name of (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate (CID 78780409) is (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate is COc1cc(C)ccc1OC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate?
The InChIKey is XOJSTGMFFYHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-10-3-8-13(14(9-10)20-2)22-15(19)11-4-6-12(7-5-11)21-16(17)18/h3-9,16H,1-2H3.
What are the key properties of (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate?
(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate has a molecular weight of 308.28 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 78780409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).