[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate

C16H14O6 — CID 155520332

IUPAC[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1cccc(OC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H14O6/c1-20-13-6-3-7-14(9-13)22-15(18)10-21-16(19)11-4-2-5-12(17)8-11/h2-9,17H,10H2,1H3
InChIKeyNSCOIEYGQNWWDW-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.16
Rot. Bonds5

About [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate

[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 155520332) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID155520332
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1cccc(OC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C16H14O6/c1-20-13-6-3-7-14(9-13)22-15(18)10-21-16(19)11-4-2-5-12(17)8-11/h2-9,17H,10H2,1H3
InChIKeyNSCOIEYGQNWWDW-UHFFFAOYSA-N
XLogP2.16
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(3-methoxyphenyl) but-3-enoate
CID 70109431
1-O-ethyl 4-O-[2-(3-hydroxyphenoxy)-2-oxoethyl] (Z)-but-2-enedioate
CID 69125146
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7985943
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate (CID 155520332) is [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate is COc1cccc(OC(=O)COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is NSCOIEYGQNWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-20-13-6-3-7-14(9-13)22-15(18)10-21-16(19)11-4-2-5-12(17)8-11/h2-9,17H,10H2,1H3.
What are the key properties of [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate?
[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 302.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 155520332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).