2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate

C14H19FO4 — CID 106450495

IUPAC2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOCC(C)C)c(F)c1
InChIInChI=1S/C14H19FO4/c1-10(2)9-18-6-7-19-14(16)12-5-4-11(17-3)8-13(12)15/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyYZCOWKLGBQBYJO-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.66
Rot. Bonds7

About 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate

2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate (PubChem CID 106450495) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
PubChem CID106450495
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCOCC(C)C)c(F)c1
InChIInChI=1S/C14H19FO4/c1-10(2)9-18-6-7-19-14(16)12-5-4-11(17-3)8-13(12)15/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyYZCOWKLGBQBYJO-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696
2-(2-methylpropoxy)ethyl 4-fluoro-3-methylbenzoate
CID 106450528
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 7887676
methyl 2-fluoro-4-(2-methylpropoxymethyl)benzoate
CID 106698296
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 40666503
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509415
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8975813
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate (CID 106450495) is 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCCOCC(C)C)c(F)c1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate?
The InChIKey is YZCOWKLGBQBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-10(2)9-18-6-7-19-14(16)12-5-4-11(17-3)8-13(12)15/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate?
2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate has a molecular weight of 270.30 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 106450495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).