butyl 2-(2-phenoxyethoxy)acetate

C14H20O4 — CID 54941982

IUPACbutyl 2-(2-phenoxyethoxy)acetate
SMILESCCCCOC(=O)COCCOc1ccccc1
InChIInChI=1S/C14H20O4/c1-2-3-9-18-14(15)12-16-10-11-17-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyMLVUDVAIXGQVFE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds9

About butyl 2-(2-phenoxyethoxy)acetate

butyl 2-(2-phenoxyethoxy)acetate (PubChem CID 54941982) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is butyl 2-(2-phenoxyethoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(2-phenoxyethoxy)acetate
PubChem CID54941982
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namebutyl 2-(2-phenoxyethoxy)acetate
SMILESCCCCOC(=O)COCCOc1ccccc1
InChIInChI=1S/C14H20O4/c1-2-3-9-18-14(15)12-16-10-11-17-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyMLVUDVAIXGQVFE-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
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-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
acetic acid;butoxybenzene
CID 162338086
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
butoxybenzene;2-ethoxyacetic acid
CID 174498357
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl undecanoate
CID 54508523
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
2-(4-phenoxybutoxy)acetamide
CID 122703944
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
2-pentoxyethoxybenzene
CID 54431229

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-phenoxyethoxy)acetate?
The IUPAC name of butyl 2-(2-phenoxyethoxy)acetate (CID 54941982) is butyl 2-(2-phenoxyethoxy)acetate.
What is the SMILES notation for butyl 2-(2-phenoxyethoxy)acetate?
The canonical SMILES for butyl 2-(2-phenoxyethoxy)acetate is CCCCOC(=O)COCCOc1ccccc1.
What is the InChIKey of butyl 2-(2-phenoxyethoxy)acetate?
The InChIKey is MLVUDVAIXGQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-3-9-18-14(15)12-16-10-11-17-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of butyl 2-(2-phenoxyethoxy)acetate?
butyl 2-(2-phenoxyethoxy)acetate has a molecular weight of 252.31 g/mol, XLogP of 2.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-phenoxyethoxy)acetate is sourced from PubChem (CID 54941982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).