methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate

C13H18O5 — CID 82001396

IUPACmethyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
SMILESCOC(=O)CCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C13H18O5/c1-9(14)11-5-4-10(16-2)8-12(11)18-7-6-13(15)17-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyTVCVOSJHCJIKCO-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.69
Rot. Bonds6

About methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate

methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate (PubChem CID 82001396) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
PubChem CID82001396
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
SMILESCOC(=O)CCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C13H18O5/c1-9(14)11-5-4-10(16-2)8-12(11)18-7-6-13(15)17-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyTVCVOSJHCJIKCO-UHFFFAOYSA-N
XLogP1.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726310
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate?
The IUPAC name of methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate (CID 82001396) is methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate is COC(=O)CCOc1cc(OC)ccc1C(C)O.
What is the InChIKey of methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate?
The InChIKey is TVCVOSJHCJIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-9(14)11-5-4-10(16-2)8-12(11)18-7-6-13(15)17-3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate?
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate has a molecular weight of 254.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate is sourced from PubChem (CID 82001396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).