(2-methoxy-2-oxoethyl) 4-hydroxybenzoate

C10H10O5 — CID 805551

IUPAC(2-methoxy-2-oxoethyl) 4-hydroxybenzoate
SMILESCOC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H10O5/c1-14-9(12)6-15-10(13)7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3
InChIKeyROGHXCNLVCYVRF-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.72
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 4-hydroxybenzoate

(2-methoxy-2-oxoethyl) 4-hydroxybenzoate (PubChem CID 805551) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 4-hydroxybenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 4-hydroxybenzoate
PubChem CID805551
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(2-methoxy-2-oxoethyl) 4-hydroxybenzoate
SMILESCOC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C10H10O5/c1-14-9(12)6-15-10(13)7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3
InChIKeyROGHXCNLVCYVRF-UHFFFAOYSA-N
XLogP0.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Veratric Acid
CID 7121
Benzyl 4-Hydroxybenzoate
CID 7180
Heptyl p-hydroxybenzoate
CID 14138
Methyl anisate
CID 8499
4-Methoxybenzoic Acid
CID 7478
Ethyl 3,4-Dihydroxybenzoate
CID 77547
Methyl 3,4-Dihydroxybenzoate
CID 287064

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 4-hydroxybenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 4-hydroxybenzoate (CID 805551) is (2-methoxy-2-oxoethyl) 4-hydroxybenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 4-hydroxybenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 4-hydroxybenzoate is COC(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 4-hydroxybenzoate?
The InChIKey is ROGHXCNLVCYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-14-9(12)6-15-10(13)7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 4-hydroxybenzoate?
(2-methoxy-2-oxoethyl) 4-hydroxybenzoate has a molecular weight of 210.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 4-hydroxybenzoate is sourced from PubChem (CID 805551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).