[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

C17H16O6 — CID 18155883

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)c2ccccc2OC)c1
InChIInChI=1S/C17H16O6/c1-21-11-7-8-14(18)13(9-11)17(20)23-10-15(19)12-5-3-4-6-16(12)22-2/h3-9,18H,10H2,1-2H3
InChIKeyJEWRYWIVCDNNHV-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.45
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (PubChem CID 18155883) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
PubChem CID18155883
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)c2ccccc2OC)c1
InChIInChI=1S/C17H16O6/c1-21-11-7-8-14(18)13(9-11)17(20)23-10-15(19)12-5-3-4-6-16(12)22-2/h3-9,18H,10H2,1-2H3
InChIKeyJEWRYWIVCDNNHV-UHFFFAOYSA-N
XLogP2.45
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442140
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate (CID 18155883) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCC(=O)c2ccccc2OC)c1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
The InChIKey is JEWRYWIVCDNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-21-11-7-8-14(18)13(9-11)17(20)23-10-15(19)12-5-3-4-6-16(12)22-2/h3-9,18H,10H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate has a molecular weight of 316.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 18155883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).