methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate

C12H16O4 — CID 78955010

IUPACmethyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C12H16O4/c1-9(13)10-3-5-11(6-4-10)16-8-7-12(14)15-2/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyMEQZPKAJBNWRBZ-SECBINFHSA-N
MW224.26 g/mol
LogP1.68
Rot. Bonds5

About methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate

methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate (PubChem CID 78955010) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
PubChem CID78955010
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C12H16O4/c1-9(13)10-3-5-11(6-4-10)16-8-7-12(14)15-2/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyMEQZPKAJBNWRBZ-SECBINFHSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate (CID 78955010) is methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate is COC(=O)CCOc1ccc([C@@H](C)O)cc1.
What is the InChIKey of methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate?
The InChIKey is MEQZPKAJBNWRBZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(13)10-3-5-11(6-4-10)16-8-7-12(14)15-2/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate?
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate is sourced from PubChem (CID 78955010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).