[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate

C12H14O5 — CID 118441123

IUPAC[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
SMILESCOCc1ccc(OC(=O)C(C)=O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-8(13)12(14)17-10-5-4-9(7-15-2)6-11(10)16-3/h4-6H,7H2,1-3H3
InChIKeyBLRRGRUPVZNQIM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.34
Rot. Bonds5

About [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate

[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate (PubChem CID 118441123) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate.

Molecular Properties

Compound Name[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
PubChem CID118441123
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
SMILESCOCc1ccc(OC(=O)C(C)=O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-8(13)12(14)17-10-5-4-9(7-15-2)6-11(10)16-3/h4-6H,7H2,1-3H3
InChIKeyBLRRGRUPVZNQIM-UHFFFAOYSA-N
XLogP1.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
(2-methoxy-4-prop-2-ynylphenyl) acetate
CID 101260759
2-[(4-acetyloxy-3-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 123520978
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate?
The IUPAC name of [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate (CID 118441123) is [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate.
What is the SMILES notation for [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate?
The canonical SMILES for [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate is COCc1ccc(OC(=O)C(C)=O)c(OC)c1.
What is the InChIKey of [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate?
The InChIKey is BLRRGRUPVZNQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)12(14)17-10-5-4-9(7-15-2)6-11(10)16-3/h4-6H,7H2,1-3H3.
What are the key properties of [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate?
[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate has a molecular weight of 238.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate is sourced from PubChem (CID 118441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).