methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate

C14H20O3 — CID 25020809

IUPACmethyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C14H20O3/c1-10(13(15)17-4)12-7-5-11(6-8-12)9-14(2,3)16/h5-8,10,16H,9H2,1-4H3
InChIKeyGVQBZZMJMBIALH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate

methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate (PubChem CID 25020809) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
PubChem CID25020809
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C14H20O3/c1-10(13(15)17-4)12-7-5-11(6-8-12)9-14(2,3)16/h5-8,10,16H,9H2,1-4H3
InChIKeyGVQBZZMJMBIALH-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
tert-butyl 2-[[4-(1-methoxy-1-oxopropan-2-yl)phenyl]methyl]-2-methyl-3-oxobutanoate
CID 139712070
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-(4-propylphenyl)propanoate
CID 62801402
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
methyl (2R)-2-[4-(4-hydroxybutyl)phenyl]propanoate
CID 129363390
methyl (2S)-2-[4-(4-iodobutyl)phenyl]propanoate
CID 129385998
methyl 2-[4-(propylaminomethyl)phenyl]propanoate
CID 143449140
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
CID 115112809
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate (CID 25020809) is methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate is COC(=O)C(C)c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate?
The InChIKey is GVQBZZMJMBIALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(13(15)17-4)12-7-5-11(6-8-12)9-14(2,3)16/h5-8,10,16H,9H2,1-4H3.
What are the key properties of methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate?
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 25020809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).