methyl 4-hydroxy-2-prop-2-enylbenzoate

C11H12O3 — CID 175570133

IUPACmethyl 4-hydroxy-2-prop-2-enylbenzoate
SMILESC=CCc1cc(O)ccc1C(=O)OC
InChIInChI=1S/C11H12O3/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3,5-7,12H,1,4H2,2H3
InChIKeyLZVQHMOZPFNXIW-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.91
Rot. Bonds3

About methyl 4-hydroxy-2-prop-2-enylbenzoate

methyl 4-hydroxy-2-prop-2-enylbenzoate (PubChem CID 175570133) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 4-hydroxy-2-prop-2-enylbenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-prop-2-enylbenzoate
PubChem CID175570133
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 4-hydroxy-2-prop-2-enylbenzoate
SMILESC=CCc1cc(O)ccc1C(=O)OC
InChIInChI=1S/C11H12O3/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3,5-7,12H,1,4H2,2H3
InChIKeyLZVQHMOZPFNXIW-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-prop-2-enylbenzene-1,4-dicarboxylate
CID 69498323
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
1-(4-hydroxy-2-prop-2-enylphenyl)-3-phenylpropane-1,3-dione
CID 139809678
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-(bromomethyl)-5-hydroxybenzoate
CID 70312474
4-bromo-3-prop-2-enylphenol
CID 59860912
4-chloro-3-prop-2-enylphenol
CID 67612288
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
dimethyl 2-(2-oxo-3-sulfanylpropyl)benzene-1,4-dicarboxylate
CID 58139250
ethane;methyl 2-(4-prop-2-enoxybutoxymethyl)benzoate
CID 145437949

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-prop-2-enylbenzoate?
The IUPAC name of methyl 4-hydroxy-2-prop-2-enylbenzoate (CID 175570133) is methyl 4-hydroxy-2-prop-2-enylbenzoate.
What is the SMILES notation for methyl 4-hydroxy-2-prop-2-enylbenzoate?
The canonical SMILES for methyl 4-hydroxy-2-prop-2-enylbenzoate is C=CCc1cc(O)ccc1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-prop-2-enylbenzoate?
The InChIKey is LZVQHMOZPFNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3,5-7,12H,1,4H2,2H3.
What are the key properties of methyl 4-hydroxy-2-prop-2-enylbenzoate?
methyl 4-hydroxy-2-prop-2-enylbenzoate has a molecular weight of 192.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-prop-2-enylbenzoate is sourced from PubChem (CID 175570133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).