ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate

C15H21FO3 — CID 64855551

IUPACethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
SMILESCCOC(=O)CCCCCOc1cc(C)ccc1F
InChIInChI=1S/C15H21FO3/c1-3-18-15(17)7-5-4-6-10-19-14-11-12(2)8-9-13(14)16/h8-9,11H,3-7,10H2,1-2H3
InChIKeyYGWHRUGIWVCWQR-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.64
Rot. Bonds8

About ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate

ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate (PubChem CID 64855551) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
PubChem CID64855551
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Nameethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
SMILESCCOC(=O)CCCCCOc1cc(C)ccc1F
InChIInChI=1S/C15H21FO3/c1-3-18-15(17)7-5-4-6-10-19-14-11-12(2)8-9-13(14)16/h8-9,11H,3-7,10H2,1-2H3
InChIKeyYGWHRUGIWVCWQR-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 5-(3,4,5-trifluorophenoxy)pentanoate
CID 91655865
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
6-O-(2-chloro-5-methylphenyl) 1-O-ethyl hexanedioate
CID 91704853
ethyl 6-(2-amino-4,5-dichlorophenoxy)hexanoate
CID 107498507
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate?
The IUPAC name of ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate (CID 64855551) is ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate.
What is the SMILES notation for ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate?
The canonical SMILES for ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate is CCOC(=O)CCCCCOc1cc(C)ccc1F.
What is the InChIKey of ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate?
The InChIKey is YGWHRUGIWVCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-3-18-15(17)7-5-4-6-10-19-14-11-12(2)8-9-13(14)16/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate?
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate has a molecular weight of 268.33 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate is sourced from PubChem (CID 64855551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).