(3-formylphenyl) 2-methoxyacetate

C10H10O4 — CID 39199878

IUPAC(3-formylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1cccc(C=O)c1
InChIInChI=1S/C10H10O4/c1-13-7-10(12)14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
InChIKeyDNVGHAJJLDNISA-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.05
Rot. Bonds4

About (3-formylphenyl) 2-methoxyacetate

(3-formylphenyl) 2-methoxyacetate (PubChem CID 39199878) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3-formylphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(3-formylphenyl) 2-methoxyacetate
PubChem CID39199878
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(3-formylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1cccc(C=O)c1
InChIInChI=1S/C10H10O4/c1-13-7-10(12)14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
InChIKeyDNVGHAJJLDNISA-UHFFFAOYSA-N
XLogP1.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
(3-formylphenyl) 3-chloropropanoate
CID 87706674
bis(3-formylphenyl) oxalate
CID 10968521
(3-formylphenyl) 5-hydroxypentanoate
CID 87707014
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
(3-formylphenyl) 2-(4-fluorophenyl)acetate
CID 39199738
5-(3-formylphenoxy)-2-methylidene-5-oxopentanoic acid
CID 87706948
(3-formylphenyl) (2S)-2-chloropropanoate
CID 10998344
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
(3-formylphenyl) 4-methylbenzoate
CID 807171
(3-formylphenyl) 1-ethylcyclobutane-1-carboxylate
CID 87316122
(3-formylphenyl) 3,4-dimethoxybenzoate
CID 40560630

Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl) 2-methoxyacetate?
The IUPAC name of (3-formylphenyl) 2-methoxyacetate (CID 39199878) is (3-formylphenyl) 2-methoxyacetate.
What is the SMILES notation for (3-formylphenyl) 2-methoxyacetate?
The canonical SMILES for (3-formylphenyl) 2-methoxyacetate is COCC(=O)Oc1cccc(C=O)c1.
What is the InChIKey of (3-formylphenyl) 2-methoxyacetate?
The InChIKey is DNVGHAJJLDNISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-7-10(12)14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3.
What are the key properties of (3-formylphenyl) 2-methoxyacetate?
(3-formylphenyl) 2-methoxyacetate has a molecular weight of 194.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl) 2-methoxyacetate is sourced from PubChem (CID 39199878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).