2-hydroxyethyl 2,5-dimethoxybenzoate

C11H14O5 — CID 116862870

IUPAC2-hydroxyethyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCCO)c1
InChIInChI=1S/C11H14O5/c1-14-8-3-4-10(15-2)9(7-8)11(13)16-6-5-12/h3-4,7,12H,5-6H2,1-2H3
InChIKeySQTKANNCUBJJCP-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.85
Rot. Bonds5

About 2-hydroxyethyl 2,5-dimethoxybenzoate

2-hydroxyethyl 2,5-dimethoxybenzoate (PubChem CID 116862870) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-hydroxyethyl 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,5-dimethoxybenzoate
PubChem CID116862870
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-hydroxyethyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCCO)c1
InChIInChI=1S/C11H14O5/c1-14-8-3-4-10(15-2)9(7-8)11(13)16-6-5-12/h3-4,7,12H,5-6H2,1-2H3
InChIKeySQTKANNCUBJJCP-UHFFFAOYSA-N
XLogP0.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
3-hydroxypropyl 2,4-dimethoxybenzoate
CID 116863011
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000
butyl 2,5-dimethoxybenzenecarboperoxoate
CID 173266594
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
CID 7487725
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
propyl 2-amino-5-methoxybenzoate
CID 60837149

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,5-dimethoxybenzoate?
The IUPAC name of 2-hydroxyethyl 2,5-dimethoxybenzoate (CID 116862870) is 2-hydroxyethyl 2,5-dimethoxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2,5-dimethoxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl 2,5-dimethoxybenzoate?
The InChIKey is SQTKANNCUBJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-8-3-4-10(15-2)9(7-8)11(13)16-6-5-12/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2,5-dimethoxybenzoate?
2-hydroxyethyl 2,5-dimethoxybenzoate has a molecular weight of 226.23 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,5-dimethoxybenzoate is sourced from PubChem (CID 116862870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).