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

C13H18O4 — CID 117349063

IUPACmethyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cccc(OC)c1C(C)C
InChIInChI=1S/C13H18O4/c1-8(2)11-9(12(14)13(15)17-4)6-5-7-10(11)16-3/h5-8,12,14H,1-4H3
InChIKeyHHPKVTCETBQVJE-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.03
Rot. Bonds4

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

methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate (PubChem CID 117349063) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
PubChem CID117349063
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cccc(OC)c1C(C)C
InChIInChI=1S/C13H18O4/c1-8(2)11-9(12(14)13(15)17-4)6-5-7-10(11)16-3/h5-8,12,14H,1-4H3
InChIKeyHHPKVTCETBQVJE-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
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1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate (CID 117349063) is methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate is COC(=O)C(O)c1cccc(OC)c1C(C)C.
What is the InChIKey of methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate?
The InChIKey is HHPKVTCETBQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)11-9(12(14)13(15)17-4)6-5-7-10(11)16-3/h5-8,12,14H,1-4H3.
What are the key properties of methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate?
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate has a molecular weight of 238.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate is sourced from PubChem (CID 117349063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).