ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate

C18H20O6 — CID 51042654

IUPACethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H20O6/c1-5-24-18(20)13-7-6-11(8-14(13)19)12-9-15(21-2)17(23-4)16(10-12)22-3/h6-10,19H,5H2,1-4H3
InChIKeyQALPHRWQJMJFLN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate

ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate (PubChem CID 51042654) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
PubChem CID51042654
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Nameethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H20O6/c1-5-24-18(20)13-7-6-11(8-14(13)19)12-9-15(21-2)17(23-4)16(10-12)22-3/h6-10,19H,5H2,1-4H3
InChIKeyQALPHRWQJMJFLN-UHFFFAOYSA-N
XLogP3.26
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)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

ethyl 4-[4-(4-ethoxycarbonyl-3-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-hydroxybenzoate
CID 175788176
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxy-4-methylbenzoate
CID 7567448
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethyl 5-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 175986779
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
CID 170885824
ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
CID 141201124

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate?
The IUPAC name of ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate (CID 51042654) is ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate.
What is the SMILES notation for ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate?
The canonical SMILES for ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate is CCOC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate?
The InChIKey is QALPHRWQJMJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-5-24-18(20)13-7-6-11(8-14(13)19)12-9-15(21-2)17(23-4)16(10-12)22-3/h6-10,19H,5H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate?
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate has a molecular weight of 332.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate is sourced from PubChem (CID 51042654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).