3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate

C14H19FO4 — CID 103407273

IUPAC3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
SMILESCOCCOCCCOC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H19FO4/c1-11-5-3-6-12(13(11)15)14(16)19-8-4-7-18-10-9-17-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyHUPRMWFLZNLFBC-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.34
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate

3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate (PubChem CID 103407273) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
PubChem CID103407273
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
SMILESCOCCOCCCOC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H19FO4/c1-11-5-3-6-12(13(11)15)14(16)19-8-4-7-18-10-9-17-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyHUPRMWFLZNLFBC-UHFFFAOYSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836
3,3-dimethylbutyl 2-fluoro-3-methylbenzoate
CID 81478597
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
3-methoxypropyl 2-fluorobenzoate
CID 63297243
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
CID 103403066
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310
2-(3-methoxypropoxy)ethyl 2-amino-3-bromobenzoate
CID 103178661
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-nonoxyethyl 2-methylbenzoate
CID 140608638

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate (CID 103407273) is 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate is COCCOCCCOC(=O)c1cccc(C)c1F.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate?
The InChIKey is HUPRMWFLZNLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-11-5-3-6-12(13(11)15)14(16)19-8-4-7-18-10-9-17-2/h3,5-6H,4,7-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate?
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate has a molecular weight of 270.30 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate is sourced from PubChem (CID 103407273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).