ethyl 2-hydroxy-3-prop-2-enylbenzoate

C12H14O3 — CID 71331435

IUPACethyl 2-hydroxy-3-prop-2-enylbenzoate
SMILESC=CCc1cccc(C(=O)OCC)c1O
InChIInChI=1S/C12H14O3/c1-3-6-9-7-5-8-10(11(9)13)12(14)15-4-2/h3,5,7-8,13H,1,4,6H2,2H3
InChIKeyNRQZXKHAOYHGHQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.30
Rot. Bonds4

About ethyl 2-hydroxy-3-prop-2-enylbenzoate

ethyl 2-hydroxy-3-prop-2-enylbenzoate (PubChem CID 71331435) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-prop-2-enylbenzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-prop-2-enylbenzoate
PubChem CID71331435
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 2-hydroxy-3-prop-2-enylbenzoate
SMILESC=CCc1cccc(C(=O)OCC)c1O
InChIInChI=1S/C12H14O3/c1-3-6-9-7-5-8-10(11(9)13)12(14)15-4-2/h3,5,7-8,13H,1,4,6H2,2H3
InChIKeyNRQZXKHAOYHGHQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.30
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

ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
ethyl 3-(aminomethyl)-2-hydroxybenzoate
CID 117275304
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758
N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
CID 165345619
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
2-[2-(2-prop-2-enylbenzoyl)oxyethoxy]ethyl 2-prop-2-enylbenzoate
CID 19842449
bis(cyclopenta-1,3-diene);bis(2-methyl-6-prop-2-enylphenol);zirconium(2+)
CID 141004924
ethyl 4,6-diethyl-2-hydroxy-3-prop-2-enylbenzoate
CID 86089524
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 2-amino-3-propylbenzoate
CID 60835647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-prop-2-enylbenzoate?
The IUPAC name of ethyl 2-hydroxy-3-prop-2-enylbenzoate (CID 71331435) is ethyl 2-hydroxy-3-prop-2-enylbenzoate.
What is the SMILES notation for ethyl 2-hydroxy-3-prop-2-enylbenzoate?
The canonical SMILES for ethyl 2-hydroxy-3-prop-2-enylbenzoate is C=CCc1cccc(C(=O)OCC)c1O.
What is the InChIKey of ethyl 2-hydroxy-3-prop-2-enylbenzoate?
The InChIKey is NRQZXKHAOYHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-6-9-7-5-8-10(11(9)13)12(14)15-4-2/h3,5,7-8,13H,1,4,6H2,2H3.
What are the key properties of ethyl 2-hydroxy-3-prop-2-enylbenzoate?
ethyl 2-hydroxy-3-prop-2-enylbenzoate has a molecular weight of 206.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-prop-2-enylbenzoate is sourced from PubChem (CID 71331435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).