methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate

C11H14O4 — CID 43503745

IUPACmethyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)9-3-5-10(6-4-9)15-7-11(13)14-2/h3-6,8,12H,7H2,1-2H3
InChIKeyAFNODUNNGOGGCM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate

methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate (PubChem CID 43503745) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
PubChem CID43503745
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)9-3-5-10(6-4-9)15-7-11(13)14-2/h3-6,8,12H,7H2,1-2H3
InChIKeyAFNODUNNGOGGCM-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
CID 14579440
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
2-[4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78930659
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 78930519

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate (CID 43503745) is methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate is COC(=O)COc1ccc(C(C)O)cc1.
What is the InChIKey of methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate?
The InChIKey is AFNODUNNGOGGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)9-3-5-10(6-4-9)15-7-11(13)14-2/h3-6,8,12H,7H2,1-2H3.
What are the key properties of methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate?
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate has a molecular weight of 210.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate is sourced from PubChem (CID 43503745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).