methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate

C12H16O5 — CID 117353011

IUPACmethyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
SMILESCOCCOc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C12H16O5/c1-15-7-8-17-10-5-3-9(4-6-10)11(13)12(14)16-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyCVMGYGMMJMGJNH-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.92
Rot. Bonds6

About methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate

methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate (PubChem CID 117353011) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
PubChem CID117353011
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
SMILESCOCCOc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C12H16O5/c1-15-7-8-17-10-5-3-9(4-6-10)11(13)12(14)16-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyCVMGYGMMJMGJNH-UHFFFAOYSA-N
XLogP0.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
methyl (2R)-2-hydroxy-2-[4-(2-oxopropoxy)phenyl]acetate
CID 67575819
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
ethyl 2-[4-(3-bromopropoxy)phenyl]-2-hydroxyacetate
CID 22459007
N-acetyl-2-[4-(2-methoxyethoxy)phenyl]propanamide
CID 71176755
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate (CID 117353011) is methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate is COCCOc1ccc(C(O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate?
The InChIKey is CVMGYGMMJMGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-15-7-8-17-10-5-3-9(4-6-10)11(13)12(14)16-2/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate?
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate has a molecular weight of 240.25 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate is sourced from PubChem (CID 117353011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).