methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate

C12H16O4 — CID 117321841

IUPACmethyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O4/c1-7(2)8-4-9(6-10(13)5-8)11(14)12(15)16-3/h4-7,11,13-14H,1-3H3
InChIKeyOPQPVSUMFOMCIW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate

methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate (PubChem CID 117321841) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate
PubChem CID117321841
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(O)cc(C(C)C)c1
InChIInChI=1S/C12H16O4/c1-7(2)8-4-9(6-10(13)5-8)11(14)12(15)16-3/h4-7,11,13-14H,1-3H3
InChIKeyOPQPVSUMFOMCIW-UHFFFAOYSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetate;hydrochloride
CID 171199915
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
CID 117420065
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate (CID 117321841) is methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate is COC(=O)C(O)c1cc(O)cc(C(C)C)c1.
What is the InChIKey of methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate?
The InChIKey is OPQPVSUMFOMCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7(2)8-4-9(6-10(13)5-8)11(14)12(15)16-3/h4-7,11,13-14H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate?
methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate is sourced from PubChem (CID 117321841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).