ethyl 2-(4-hexoxyphenyl)acetate

C16H24O3 — CID 19797927

IUPACethyl 2-(4-hexoxyphenyl)acetate
SMILESCCCCCCOc1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C16H24O3/c1-3-5-6-7-12-19-15-10-8-14(9-11-15)13-16(17)18-4-2/h8-11H,3-7,12-13H2,1-2H3
InChIKeyGBAFYBVWYRSCSS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.75
Rot. Bonds9

About ethyl 2-(4-hexoxyphenyl)acetate

ethyl 2-(4-hexoxyphenyl)acetate (PubChem CID 19797927) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-(4-hexoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hexoxyphenyl)acetate
PubChem CID19797927
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl 2-(4-hexoxyphenyl)acetate
SMILESCCCCCCOc1ccc(CC(=O)OCC)cc1
InChIInChI=1S/C16H24O3/c1-3-5-6-7-12-19-15-10-8-14(9-11-15)13-16(17)18-4-2/h8-11H,3-7,12-13H2,1-2H3
InChIKeyGBAFYBVWYRSCSS-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.75
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 2-[4-(5-aminopentoxy)phenyl]acetate
CID 162639944
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 2-[[2-(4-dodecoxyphenyl)acetyl]-methylamino]acetate
CID 14477214
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
2-(4-pentoxyphenyl)acetate
CID 7009494
1-O-[4-(4-dodecoxyphenyl)-3-oxobutyl] 4-O-ethyl 2-aminobutanedioate
CID 139674787
ethyl 3-(4-octadecoxyphenyl)-3-oxopropanoate
CID 21470678
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hexoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4-hexoxyphenyl)acetate (CID 19797927) is ethyl 2-(4-hexoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-hexoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4-hexoxyphenyl)acetate is CCCCCCOc1ccc(CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-hexoxyphenyl)acetate?
The InChIKey is GBAFYBVWYRSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-6-7-12-19-15-10-8-14(9-11-15)13-16(17)18-4-2/h8-11H,3-7,12-13H2,1-2H3.
What are the key properties of ethyl 2-(4-hexoxyphenyl)acetate?
ethyl 2-(4-hexoxyphenyl)acetate has a molecular weight of 264.37 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hexoxyphenyl)acetate is sourced from PubChem (CID 19797927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).