methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate

C15H22O4 — CID 114282388

IUPACmethyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
SMILESCCOc1ccccc1O[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C15H22O4/c1-5-18-12-8-6-7-9-13(12)19-14(10-11(2)3)15(16)17-4/h6-9,11,14H,5,10H2,1-4H3/t14-/m1/s1
InChIKeyYBSSGAYMUKUTPC-CQSZACIVSA-N
MW266.34 g/mol
LogP3.05
Rot. Bonds7

About methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate

methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate (PubChem CID 114282388) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
PubChem CID114282388
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate
SMILESCCOc1ccccc1O[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C15H22O4/c1-5-18-12-8-6-7-9-13(12)19-14(10-11(2)3)15(16)17-4/h6-9,11,14H,5,10H2,1-4H3/t14-/m1/s1
InChIKeyYBSSGAYMUKUTPC-CQSZACIVSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
CID 19886522
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
methyl 2-(1-benzyl-2-methylindol-4-yl)oxy-4-methylpentanoate
CID 59170301
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate (CID 114282388) is methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate is CCOc1ccccc1O[C@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate?
The InChIKey is YBSSGAYMUKUTPC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-18-12-8-6-7-9-13(12)19-14(10-11(2)3)15(16)17-4/h6-9,11,14H,5,10H2,1-4H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate?
methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate has a molecular weight of 266.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-ethoxyphenoxy)-4-methylpentanoate is sourced from PubChem (CID 114282388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).