(3,4-dimethoxyphenyl) acetate

C10H12O4 — CID 593001

IUPAC(3,4-dimethoxyphenyl) acetate
SMILESCOc1ccc(OC(C)=O)cc1OC
InChIInChI=1S/C10H12O4/c1-7(11)14-8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKeyDIACJRUBBJMNFI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.63
Rot. Bonds3

About (3,4-dimethoxyphenyl) acetate

(3,4-dimethoxyphenyl) acetate (PubChem CID 593001) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl) acetate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl) acetate
PubChem CID593001
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(3,4-dimethoxyphenyl) acetate
SMILESCOc1ccc(OC(C)=O)cc1OC
InChIInChI=1S/C10H12O4/c1-7(11)14-8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKeyDIACJRUBBJMNFI-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
CID 68983653
(3,4-dimethoxyphenyl) nitroformate
CID 57088583
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl) acetate?
The IUPAC name of (3,4-dimethoxyphenyl) acetate (CID 593001) is (3,4-dimethoxyphenyl) acetate.
What is the SMILES notation for (3,4-dimethoxyphenyl) acetate?
The canonical SMILES for (3,4-dimethoxyphenyl) acetate is COc1ccc(OC(C)=O)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl) acetate?
The InChIKey is DIACJRUBBJMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(11)14-8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl) acetate?
(3,4-dimethoxyphenyl) acetate has a molecular weight of 196.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl) acetate is sourced from PubChem (CID 593001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).