methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate

C13H18O4 — CID 59570909

IUPACmethyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-13(2,12(14)16-4)17-9-10-5-7-11(15-3)8-6-10/h5-8H,9H2,1-4H3
InChIKeyDLTXDMWUSHKHIN-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate

methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate (PubChem CID 59570909) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
PubChem CID59570909
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-13(2,12(14)16-4)17-9-10-5-7-11(15-3)8-6-10/h5-8H,9H2,1-4H3
InChIKeyDLTXDMWUSHKHIN-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
5-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-3-yn-2-ol
CID 102289994
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979816
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene
CID 123339155
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate (CID 59570909) is methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate is COC(=O)C(C)(C)OCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate?
The InChIKey is DLTXDMWUSHKHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(2,12(14)16-4)17-9-10-5-7-11(15-3)8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate?
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate has a molecular weight of 238.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate is sourced from PubChem (CID 59570909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).