2-hydroxyethyl 2,4,5-trimethoxybenzoate

C12H16O6 — CID 35514388

IUPAC2-hydroxyethyl 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCCO)cc1OC
InChIInChI=1S/C12H16O6/c1-15-9-7-11(17-3)10(16-2)6-8(9)12(14)18-5-4-13/h6-7,13H,4-5H2,1-3H3
InChIKeyIOVKAHJKLBYIHO-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.86
Rot. Bonds6

About 2-hydroxyethyl 2,4,5-trimethoxybenzoate

2-hydroxyethyl 2,4,5-trimethoxybenzoate (PubChem CID 35514388) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-hydroxyethyl 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,4,5-trimethoxybenzoate
PubChem CID35514388
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name2-hydroxyethyl 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCCO)cc1OC
InChIInChI=1S/C12H16O6/c1-15-9-7-11(17-3)10(16-2)6-8(9)12(14)18-5-4-13/h6-7,13H,4-5H2,1-3H3
InChIKeyIOVKAHJKLBYIHO-UHFFFAOYSA-N
XLogP0.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
2-(4-chlorophenoxy)ethyl 2,4,5-trimethoxybenzoate
CID 2488036
2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
CID 116862902
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,4,5-trimethoxybenzoate
CID 2699804
ethyl 2,4,5-trimethoxybenzenecarboperoxoate
CID 173267868
3-hydroxypropyl 2,4-dimethoxybenzoate
CID 116863011
2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
2-(2-fluorophenyl)sulfanylethyl 2,4,5-trimethoxybenzoate
CID 8753731
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566537
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,4,5-trimethoxybenzoate?
The IUPAC name of 2-hydroxyethyl 2,4,5-trimethoxybenzoate (CID 35514388) is 2-hydroxyethyl 2,4,5-trimethoxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2,4,5-trimethoxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OCCO)cc1OC.
What is the InChIKey of 2-hydroxyethyl 2,4,5-trimethoxybenzoate?
The InChIKey is IOVKAHJKLBYIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-15-9-7-11(17-3)10(16-2)6-8(9)12(14)18-5-4-13/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-hydroxyethyl 2,4,5-trimethoxybenzoate?
2-hydroxyethyl 2,4,5-trimethoxybenzoate has a molecular weight of 256.25 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 35514388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).