methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate

C12H16O3 — CID 67520417

IUPACmethyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cccc(O)c1
InChIInChI=1S/C12H16O3/c1-12(2,11(14)15-3)8-9-5-4-6-10(13)7-9/h4-7,13H,8H2,1-3H3
InChIKeyDFVHHNFVMMCKAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.13
Rot. Bonds3

About methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate

methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate (PubChem CID 67520417) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
PubChem CID67520417
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cccc(O)c1
InChIInChI=1S/C12H16O3/c1-12(2,11(14)15-3)8-9-5-4-6-10(13)7-9/h4-7,13H,8H2,1-3H3
InChIKeyDFVHHNFVMMCKAK-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
methyl 3-(3-bromo-4-fluorophenyl)-2,2-dimethylpropanoate
CID 117275044
methyl 3-[3-(2-chloropyrimidin-4-yl)phenyl]-2,2-dimethylpropanoate
CID 156541265
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497
methyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957512
methyl 2,2-dimethyl-3-(1H-pyrrol-3-yl)propanoate
CID 116927561
2-[(3-hydroxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639732
3-[3-(2-methoxypropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107885
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate (CID 67520417) is methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1cccc(O)c1.
What is the InChIKey of methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate?
The InChIKey is DFVHHNFVMMCKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,11(14)15-3)8-9-5-4-6-10(13)7-9/h4-7,13H,8H2,1-3H3.
What are the key properties of methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate?
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate has a molecular weight of 208.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 67520417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).