(5-formyl-2-methoxyphenyl) acetate

C10H10O4 — CID 4099572

IUPAC(5-formyl-2-methoxyphenyl) acetate
SMILESCOc1ccc(C=O)cc1OC(C)=O
InChIInChI=1S/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChIKeyZVPGTXJXZIXWGR-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.43
Rot. Bonds3

About (5-formyl-2-methoxyphenyl) acetate

(5-formyl-2-methoxyphenyl) acetate (PubChem CID 4099572) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (5-formyl-2-methoxyphenyl) acetate.

Molecular Properties

Compound Name(5-formyl-2-methoxyphenyl) acetate
PubChem CID4099572
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(5-formyl-2-methoxyphenyl) acetate
SMILESCOc1ccc(C=O)cc1OC(C)=O
InChIInChI=1S/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChIKeyZVPGTXJXZIXWGR-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of (5-formyl-2-methoxyphenyl) acetate?
The IUPAC name of (5-formyl-2-methoxyphenyl) acetate (CID 4099572) is (5-formyl-2-methoxyphenyl) acetate.
What is the SMILES notation for (5-formyl-2-methoxyphenyl) acetate?
The canonical SMILES for (5-formyl-2-methoxyphenyl) acetate is COc1ccc(C=O)cc1OC(C)=O.
What is the InChIKey of (5-formyl-2-methoxyphenyl) acetate?
The InChIKey is ZVPGTXJXZIXWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3.
What are the key properties of (5-formyl-2-methoxyphenyl) acetate?
(5-formyl-2-methoxyphenyl) acetate has a molecular weight of 194.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-2-methoxyphenyl) acetate is sourced from PubChem (CID 4099572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).