methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate

C13H18O4 — CID 43537941

IUPACmethyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)COCc1cccc(OC)c1
InChIInChI=1S/C13H18O4/c1-10(13(14)16-3)8-17-9-11-5-4-6-12(7-11)15-2/h4-7,10H,8-9H2,1-3H3
InChIKeyNUUQRLWUDNQNBD-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.02
Rot. Bonds6

About methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate

methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate (PubChem CID 43537941) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
PubChem CID43537941
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)COCc1cccc(OC)c1
InChIInChI=1S/C13H18O4/c1-10(13(14)16-3)8-17-9-11-5-4-6-12(7-11)15-2/h4-7,10H,8-9H2,1-3H3
InChIKeyNUUQRLWUDNQNBD-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
1-[[2-(bromomethyl)-3-methylbutoxy]methyl]-3-methoxybenzene
CID 65012343
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
methyl 2-bromo-3-[(3-bromophenyl)methoxy]propanoate
CID 82828519
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
1-(2-aminophenyl)-2-[(3-methoxyphenyl)methoxy]ethanol
CID 62268099
ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate
CID 63892220

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate (CID 43537941) is methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate is COC(=O)C(C)COCc1cccc(OC)c1.
What is the InChIKey of methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate?
The InChIKey is NUUQRLWUDNQNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(13(14)16-3)8-17-9-11-5-4-6-12(7-11)15-2/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate?
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate has a molecular weight of 238.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate is sourced from PubChem (CID 43537941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).