methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate

C12H14O3 — CID 79335128

IUPACmethyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate
SMILESCOC(=O)c1ccc(C=C(C)CO)cc1
InChIInChI=1S/C12H14O3/c1-9(8-13)7-10-3-5-11(6-4-10)12(14)15-2/h3-7,13H,8H2,1-2H3
InChIKeyYKXGMMWGXSSMRH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.87
Rot. Bonds3

About methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate

methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate (PubChem CID 79335128) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate
PubChem CID79335128
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate
SMILESCOC(=O)c1ccc(C=C(C)CO)cc1
InChIInChI=1S/C12H14O3/c1-9(8-13)7-10-3-5-11(6-4-10)12(14)15-2/h3-7,13H,8H2,1-2H3
InChIKeyYKXGMMWGXSSMRH-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-2-methylprop-1-enyl)benzamide
CID 79334325
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-[2-(chloromethyl)-3-methylbut-1-enyl]benzoate
CID 79335156
ethane;methyl 4-formylbenzoate
CID 91069506
methyl 4-[(1E,4E)-5-[4-(2-hydroxyacetyl)phenyl]-3-oxopenta-1,4-dienyl]benzoate
CID 90455248
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
methyl 4-but-1-enylbenzoate
CID 69135322
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
CID 23294752
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
methyl 4-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
CID 171662104

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate?
The IUPAC name of methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate (CID 79335128) is methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate.
What is the SMILES notation for methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate?
The canonical SMILES for methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate is COC(=O)c1ccc(C=C(C)CO)cc1.
What is the InChIKey of methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate?
The InChIKey is YKXGMMWGXSSMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(8-13)7-10-3-5-11(6-4-10)12(14)15-2/h3-7,13H,8H2,1-2H3.
What are the key properties of methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate?
methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate has a molecular weight of 206.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate is sourced from PubChem (CID 79335128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).