[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate

C17H26O4 — CID 157135527

IUPAC[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate
SMILESCC(C)COC(C)Oc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C17H26O4/c1-12(2)10-19-14(5)21-16-8-6-15(7-9-16)11-20-17(18)13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyAJOQXROEHWEIJK-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.78
Rot. Bonds8

About [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate

[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate (PubChem CID 157135527) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate
PubChem CID157135527
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate
SMILESCC(C)COC(C)Oc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C17H26O4/c1-12(2)10-19-14(5)21-16-8-6-15(7-9-16)11-20-17(18)13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyAJOQXROEHWEIJK-UHFFFAOYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
CID 19782944
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
CID 176717453
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
[4-(2-cyclopentylacetyl)oxyphenyl]methyl 2-methylpropanoate
CID 171426102
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
[4-(1,3,2-benzodioxaborol-2-yl)phenyl]methyl 2-methylpropanoate
CID 67991281
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
[4-(3-cyclopentylpropanoyloxy)phenyl]methyl 2-methylpropanoate
CID 171426105

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate?
The IUPAC name of [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate (CID 157135527) is [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate.
What is the SMILES notation for [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate?
The canonical SMILES for [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate is CC(C)COC(C)Oc1ccc(COC(=O)C(C)C)cc1.
What is the InChIKey of [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate?
The InChIKey is AJOQXROEHWEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-12(2)10-19-14(5)21-16-8-6-15(7-9-16)11-20-17(18)13(3)4/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate?
[4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate has a molecular weight of 294.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methylpropoxy)ethoxy]phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 157135527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).