methyl 2-(4-hydroxy-2-methylphenyl)propanoate

C11H14O3 — CID 131289275

IUPACmethyl 2-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(O)cc1C
InChIInChI=1S/C11H14O3/c1-7-6-9(12)4-5-10(7)8(2)11(13)14-3/h4-6,8,12H,1-3H3
InChIKeyPLJUKCNTHGWZJP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.98
Rot. Bonds2

About methyl 2-(4-hydroxy-2-methylphenyl)propanoate

methyl 2-(4-hydroxy-2-methylphenyl)propanoate (PubChem CID 131289275) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-2-methylphenyl)propanoate
PubChem CID131289275
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(O)cc1C
InChIInChI=1S/C11H14O3/c1-7-6-9(12)4-5-10(7)8(2)11(13)14-3/h4-6,8,12H,1-3H3
InChIKeyPLJUKCNTHGWZJP-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methyl-4-sulfanylphenyl)propanoate
CID 68839392
4-(1-hydrazinylethyl)-3-methylphenol
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methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
methyl (2R)-2-(4-methylnaphthalen-1-yl)propanoate
CID 102595202
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
CID 68634911
methyl (E)-5-hydroxy-4-(4-hydroxy-2-methylphenyl)pent-2-enoate
CID 10466633

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-2-methylphenyl)propanoate?
The IUPAC name of methyl 2-(4-hydroxy-2-methylphenyl)propanoate (CID 131289275) is methyl 2-(4-hydroxy-2-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-2-methylphenyl)propanoate?
The canonical SMILES for methyl 2-(4-hydroxy-2-methylphenyl)propanoate is COC(=O)C(C)c1ccc(O)cc1C.
What is the InChIKey of methyl 2-(4-hydroxy-2-methylphenyl)propanoate?
The InChIKey is PLJUKCNTHGWZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-6-9(12)4-5-10(7)8(2)11(13)14-3/h4-6,8,12H,1-3H3.
What are the key properties of methyl 2-(4-hydroxy-2-methylphenyl)propanoate?
methyl 2-(4-hydroxy-2-methylphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-2-methylphenyl)propanoate is sourced from PubChem (CID 131289275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).