(2,4-dimethoxyphenyl) formate

C9H10O4 — CID 11137749

IUPAC(2,4-dimethoxyphenyl) formate
SMILESCOc1ccc(OC=O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-11-7-3-4-8(13-6-10)9(5-7)12-2/h3-6H,1-2H3
InChIKeyGPGVDLGUBYWNCC-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.24
Rot. Bonds4

About (2,4-dimethoxyphenyl) formate

(2,4-dimethoxyphenyl) formate (PubChem CID 11137749) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl) formate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl) formate
PubChem CID11137749
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(2,4-dimethoxyphenyl) formate
SMILESCOc1ccc(OC=O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-11-7-3-4-8(13-6-10)9(5-7)12-2/h3-6H,1-2H3
InChIKeyGPGVDLGUBYWNCC-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl) formate?
The IUPAC name of (2,4-dimethoxyphenyl) formate (CID 11137749) is (2,4-dimethoxyphenyl) formate.
What is the SMILES notation for (2,4-dimethoxyphenyl) formate?
The canonical SMILES for (2,4-dimethoxyphenyl) formate is COc1ccc(OC=O)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl) formate?
The InChIKey is GPGVDLGUBYWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-11-7-3-4-8(13-6-10)9(5-7)12-2/h3-6H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl) formate?
(2,4-dimethoxyphenyl) formate has a molecular weight of 182.17 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl) formate is sourced from PubChem (CID 11137749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).