methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate

C9H10O5 — CID 141029316

IUPACmethyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate
SMILESCOC(=O)C(O)(O)c1ccccc1O
InChIInChI=1S/C9H10O5/c1-14-8(11)9(12,13)6-4-2-3-5-7(6)10/h2-5,10,12-13H,1H3
InChIKeyXSRHOHCXYVPILH-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.30
Rot. Bonds2

About methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate

methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate (PubChem CID 141029316) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate
PubChem CID141029316
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namemethyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate
SMILESCOC(=O)C(O)(O)c1ccccc1O
InChIInChI=1S/C9H10O5/c1-14-8(11)9(12,13)6-4-2-3-5-7(6)10/h2-5,10,12-13H,1H3
InChIKeyXSRHOHCXYVPILH-UHFFFAOYSA-N
XLogP-0.30
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate?
The IUPAC name of methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate (CID 141029316) is methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate is COC(=O)C(O)(O)c1ccccc1O.
What is the InChIKey of methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate?
The InChIKey is XSRHOHCXYVPILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-14-8(11)9(12,13)6-4-2-3-5-7(6)10/h2-5,10,12-13H,1H3.
What are the key properties of methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate?
methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate has a molecular weight of 198.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate is sourced from PubChem (CID 141029316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).