methyl 2-(3-methoxyphenoxy)-2-methylpropanoate

C12H16O4 — CID 70830796

IUPACmethyl 2-(3-methoxyphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1cccc(OC)c1
InChIInChI=1S/C12H16O4/c1-12(2,11(13)15-4)16-10-7-5-6-9(8-10)14-3/h5-8H,1-4H3
InChIKeyUJPDPZDTHVPRAT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-(3-methoxyphenoxy)-2-methylpropanoate

methyl 2-(3-methoxyphenoxy)-2-methylpropanoate (PubChem CID 70830796) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyphenoxy)-2-methylpropanoate
PubChem CID70830796
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-(3-methoxyphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1cccc(OC)c1
InChIInChI=1S/C12H16O4/c1-12(2,11(13)15-4)16-10-7-5-6-9(8-10)14-3/h5-8H,1-4H3
InChIKeyUJPDPZDTHVPRAT-UHFFFAOYSA-N
XLogP2.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
2-(3-methoxyphenoxy)-2-methylpropanethioamide
CID 82080839
2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
4-hydroxy-4-(3-methoxyphenoxy)pentanoic acid
CID 68841410
4-hydroxy-2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 68841412
N,2-dimethyl-2-(3-methylphenoxy)propanamide
CID 58376836
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyphenoxy)-2-methylpropanoate?
The IUPAC name of methyl 2-(3-methoxyphenoxy)-2-methylpropanoate (CID 70830796) is methyl 2-(3-methoxyphenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3-methoxyphenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3-methoxyphenoxy)-2-methylpropanoate is COC(=O)C(C)(C)Oc1cccc(OC)c1.
What is the InChIKey of methyl 2-(3-methoxyphenoxy)-2-methylpropanoate?
The InChIKey is UJPDPZDTHVPRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(2,11(13)15-4)16-10-7-5-6-9(8-10)14-3/h5-8H,1-4H3.
What are the key properties of methyl 2-(3-methoxyphenoxy)-2-methylpropanoate?
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate has a molecular weight of 224.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyphenoxy)-2-methylpropanoate is sourced from PubChem (CID 70830796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).