prop-2-enyl 2-hydroxy-3-methoxybenzoate

C11H12O4 — CID 142667265

IUPACprop-2-enyl 2-hydroxy-3-methoxybenzoate
SMILESC=CCOC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H12O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3-6,12H,1,7H2,2H3
InChIKeyKHGHMHHJRPZENT-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.74
Rot. Bonds4

About prop-2-enyl 2-hydroxy-3-methoxybenzoate

prop-2-enyl 2-hydroxy-3-methoxybenzoate (PubChem CID 142667265) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxy-3-methoxybenzoate
PubChem CID142667265
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameprop-2-enyl 2-hydroxy-3-methoxybenzoate
SMILESC=CCOC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H12O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3-6,12H,1,7H2,2H3
InChIKeyKHGHMHHJRPZENT-UHFFFAOYSA-N
XLogP1.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
2-oxoethyl 2-methoxybenzoate
CID 87871956
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
2-(4-methylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 29183554
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
butanoyl 2-hydroxy-3-methoxybenzoate
CID 174943423
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 46805086
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of prop-2-enyl 2-hydroxy-3-methoxybenzoate (CID 142667265) is prop-2-enyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for prop-2-enyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for prop-2-enyl 2-hydroxy-3-methoxybenzoate is C=CCOC(=O)c1cccc(OC)c1O.
What is the InChIKey of prop-2-enyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is KHGHMHHJRPZENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3-6,12H,1,7H2,2H3.
What are the key properties of prop-2-enyl 2-hydroxy-3-methoxybenzoate?
prop-2-enyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 208.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 142667265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).