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

C13H18O4 — CID 117349068

IUPACmethyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc(C(C)C)c1
InChIInChI=1S/C13H18O4/c1-8(2)9-5-10(7-11(6-9)16-3)12(14)13(15)17-4/h5-8,12,14H,1-4H3
InChIKeyIBJGGEZYACKYIQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.03
Rot. Bonds4

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

methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate (PubChem CID 117349068) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
PubChem CID117349068
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc(C(C)C)c1
InChIInChI=1S/C13H18O4/c1-8(2)9-5-10(7-11(6-9)16-3)12(14)13(15)17-4/h5-8,12,14H,1-4H3
InChIKeyIBJGGEZYACKYIQ-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-hydroxy-2-(3-hydroxy-5-propan-2-ylphenyl)acetate
CID 117321841
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate (CID 117349068) is methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate is COC(=O)C(O)c1cc(OC)cc(C(C)C)c1.
What is the InChIKey of methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate?
The InChIKey is IBJGGEZYACKYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)9-5-10(7-11(6-9)16-3)12(14)13(15)17-4/h5-8,12,14H,1-4H3.
What are the key properties of methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate?
methyl 2-hydroxy-2-(3-methoxy-5-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-5-propan-2-ylphenyl)acetate is sourced from PubChem (CID 117349068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).