ethane;formyl acetate;(3-methoxyphenyl) benzoate

C19H22O6 — CID 90687433

IUPACethane;formyl acetate;(3-methoxyphenyl) benzoate
SMILESCC.CC(=O)OC=O.COc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C14H12O3.C3H4O3.C2H6/c1-16-12-8-5-9-13(10-12)17-14(15)11-6-3-2-4-7-11;1-3(5)6-2-4;1-2/h2-10H,1H3;2H,1H3;1-2H3
InChIKeyGVQXARXZFFONMS-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.65
Rot. Bonds4

About ethane;formyl acetate;(3-methoxyphenyl) benzoate

ethane;formyl acetate;(3-methoxyphenyl) benzoate (PubChem CID 90687433) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethane;formyl acetate;(3-methoxyphenyl) benzoate.

Molecular Properties

Compound Nameethane;formyl acetate;(3-methoxyphenyl) benzoate
PubChem CID90687433
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Nameethane;formyl acetate;(3-methoxyphenyl) benzoate
SMILESCC.CC(=O)OC=O.COc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C14H12O3.C3H4O3.C2H6/c1-16-12-8-5-9-13(10-12)17-14(15)11-6-3-2-4-7-11;1-3(5)6-2-4;1-2/h2-10H,1H3;2H,1H3;1-2H3
InChIKeyGVQXARXZFFONMS-UHFFFAOYSA-N
XLogP3.65
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze ethane;formyl acetate;(3-methoxyphenyl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
ethane;formyloxymethyl acetate;(3-methoxyphenyl) benzoate
CID 91496220
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
diazanium;3-[3-(3-carboxylatobenzoyl)oxyphenoxy]carbonylbenzoate
CID 23310708
(3-ethenylphenyl) benzoate
CID 18762156
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616

Frequently Asked Questions

What is the IUPAC name of ethane;formyl acetate;(3-methoxyphenyl) benzoate?
The IUPAC name of ethane;formyl acetate;(3-methoxyphenyl) benzoate (CID 90687433) is ethane;formyl acetate;(3-methoxyphenyl) benzoate.
What is the SMILES notation for ethane;formyl acetate;(3-methoxyphenyl) benzoate?
The canonical SMILES for ethane;formyl acetate;(3-methoxyphenyl) benzoate is CC.CC(=O)OC=O.COc1cccc(OC(=O)c2ccccc2)c1.
What is the InChIKey of ethane;formyl acetate;(3-methoxyphenyl) benzoate?
The InChIKey is GVQXARXZFFONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C3H4O3.C2H6/c1-16-12-8-5-9-13(10-12)17-14(15)11-6-3-2-4-7-11;1-3(5)6-2-4;1-2/h2-10H,1H3;2H,1H3;1-2H3.
What are the key properties of ethane;formyl acetate;(3-methoxyphenyl) benzoate?
ethane;formyl acetate;(3-methoxyphenyl) benzoate has a molecular weight of 346.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formyl acetate;(3-methoxyphenyl) benzoate is sourced from PubChem (CID 90687433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).