2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate

C9H9O5- — CID 23615482

IUPAC2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOc1cc(C(O)C(=O)[O-])ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1
InChIKeyCGQCWMIAEPEHNQ-UHFFFAOYSA-M
MW197.17 g/mol
LogP-0.82
Rot. Bonds3

About 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate (PubChem CID 23615482) has the molecular formula C9H9O5- and a molecular weight of 197.17 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
PubChem CID23615482
Molecular FormulaC9H9O5-
Molecular Weight197.17 g/mol
Exact Mass197.05
IUPAC Name2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOc1cc(C(O)C(=O)[O-])ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1
InChIKeyCGQCWMIAEPEHNQ-UHFFFAOYSA-M
XLogP-0.82
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate?
The IUPAC name of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate (CID 23615482) is 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate?
The canonical SMILES for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate is COc1cc(C(O)C(=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate?
The InChIKey is CGQCWMIAEPEHNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1.
What are the key properties of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate?
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate has a molecular weight of 197.17 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 23615482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).