ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate

C19H22O6 — CID 144606925

IUPACethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate
SMILESCC.COC(=O)c1cccc(OCC(=O)c2cc(C)c(O)cc2O)c1
InChIInChI=1S/C17H16O6.C2H6/c1-10-6-13(15(19)8-14(10)18)16(20)9-23-12-5-3-4-11(7-12)17(21)22-2;1-2/h3-8,18-19H,9H2,1-2H3;1-2H3
InChIKeyZRWGKHAHPYOIDL-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.48
Rot. Bonds5

About ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate

ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate (PubChem CID 144606925) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate
PubChem CID144606925
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Nameethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate
SMILESCC.COC(=O)c1cccc(OCC(=O)c2cc(C)c(O)cc2O)c1
InChIInChI=1S/C17H16O6.C2H6/c1-10-6-13(15(19)8-14(10)18)16(20)9-23-12-5-3-4-11(7-12)17(21)22-2;1-2/h3-8,18-19H,9H2,1-2H3;1-2H3
InChIKeyZRWGKHAHPYOIDL-UHFFFAOYSA-N
XLogP3.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]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;methyl 3-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606949
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 8840234
methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
CID 35986892
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
1-(5-hexyl-2,4-dihydroxyphenyl)-2-phenoxyethanone;methyl 4-[2-(5-hexyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606931
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-octoxybenzoate
CID 72706029

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate?
The IUPAC name of ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate (CID 144606925) is ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate.
What is the SMILES notation for ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate?
The canonical SMILES for ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate is CC.COC(=O)c1cccc(OCC(=O)c2cc(C)c(O)cc2O)c1.
What is the InChIKey of ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate?
The InChIKey is ZRWGKHAHPYOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6.C2H6/c1-10-6-13(15(19)8-14(10)18)16(20)9-23-12-5-3-4-11(7-12)17(21)22-2;1-2/h3-8,18-19H,9H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate?
ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate has a molecular weight of 346.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-[2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy]benzoate is sourced from PubChem (CID 144606925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).