methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate

C13H18O4 — CID 172804788

IUPACmethyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
SMILESCOCOc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-13(2,12(14)16-4)10-5-7-11(8-6-10)17-9-15-3/h5-8H,9H2,1-4H3
InChIKeyRIZDQIKHELEFRX-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds5

About methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate

methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate (PubChem CID 172804788) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
PubChem CID172804788
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
SMILESCOCOc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-13(2,12(14)16-4)10-5-7-11(8-6-10)17-9-15-3/h5-8H,9H2,1-4H3
InChIKeyRIZDQIKHELEFRX-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
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

methyl 2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-2-methylpropanoate
CID 125497316
1,4-bis(methoxymethoxy)benzene
CID 542643
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-methylpropanoate
CID 71247972
[4-[2-[4-[4-(methoxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(methoxymethoxy)benzoate
CID 58090351
1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57168738
methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
CID 143449159
ethane;methyl 2-[4-(aminomethyl)phenyl]-2-methylpropanoate
CID 142893315
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
CID 91481469
CID 91481469

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate (CID 172804788) is methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate is COCOc1ccc(C(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate?
The InChIKey is RIZDQIKHELEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(2,12(14)16-4)10-5-7-11(8-6-10)17-9-15-3/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate?
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate has a molecular weight of 238.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate is sourced from PubChem (CID 172804788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).