4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate

C17H25O6- — CID 57360215

IUPAC4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate
SMILESCCCCOCCOCCC(Oc1ccc(OC)cc1)C(=O)[O-]
InChIInChI=1S/C17H26O6/c1-3-4-10-21-12-13-22-11-9-16(17(18)19)23-15-7-5-14(20-2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,19)/p-1
InChIKeyBGJYWSKFNJWOKU-UHFFFAOYSA-M
MW325.38 g/mol
LogP1.42
Rot. Bonds13

About 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate

4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate (PubChem CID 57360215) has the molecular formula C17H25O6- and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate
PubChem CID57360215
Molecular FormulaC17H25O6-
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate
SMILESCCCCOCCOCCC(Oc1ccc(OC)cc1)C(=O)[O-]
InChIInChI=1S/C17H26O6/c1-3-4-10-21-12-13-22-11-9-16(17(18)19)23-15-7-5-14(20-2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,19)/p-1
InChIKeyBGJYWSKFNJWOKU-UHFFFAOYSA-M
XLogP1.42
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
2-(4-methoxyphenyl)hexanoate
CID 19815864
2-(4-heptylsulfanylphenoxy)decanoate
CID 140615247
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
sodium 2-phenoxypentanoate
CID 59946136
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
(2R)-2-phenoxyhexanoic acid
CID 71401043

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate?
The IUPAC name of 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate (CID 57360215) is 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate?
The canonical SMILES for 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate is CCCCOCCOCCC(Oc1ccc(OC)cc1)C(=O)[O-].
What is the InChIKey of 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate?
The InChIKey is BGJYWSKFNJWOKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H26O6/c1-3-4-10-21-12-13-22-11-9-16(17(18)19)23-15-7-5-14(20-2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate?
4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate has a molecular weight of 325.38 g/mol, XLogP of 1.42, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 57360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).