ethoxyethane;prop-2-enyl 2-hydroxybenzoate

C14H20O4 — CID 68931624

IUPACethoxyethane;prop-2-enyl 2-hydroxybenzoate
SMILESC=CCOC(=O)c1ccccc1O.CCOCC
InChIInChI=1S/C10H10O3.C4H10O/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2/h2-6,11H,1,7H2;3-4H2,1-2H3
InChIKeyKYDCBAZIXNEQHN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.78
Rot. Bonds5

About ethoxyethane;prop-2-enyl 2-hydroxybenzoate

ethoxyethane;prop-2-enyl 2-hydroxybenzoate (PubChem CID 68931624) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethoxyethane;prop-2-enyl 2-hydroxybenzoate.

Molecular Properties

Compound Nameethoxyethane;prop-2-enyl 2-hydroxybenzoate
PubChem CID68931624
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethoxyethane;prop-2-enyl 2-hydroxybenzoate
SMILESC=CCOC(=O)c1ccccc1O.CCOCC
InChIInChI=1S/C10H10O3.C4H10O/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2/h2-6,11H,1,7H2;3-4H2,1-2H3
InChIKeyKYDCBAZIXNEQHN-UHFFFAOYSA-N
XLogP2.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.78
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

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
[(E)-4-hydroxy-3-methylbut-2-enyl] 2-hydroxybenzoate
CID 101417724
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;prop-2-enyl 2-hydroxybenzoate?
The IUPAC name of ethoxyethane;prop-2-enyl 2-hydroxybenzoate (CID 68931624) is ethoxyethane;prop-2-enyl 2-hydroxybenzoate.
What is the SMILES notation for ethoxyethane;prop-2-enyl 2-hydroxybenzoate?
The canonical SMILES for ethoxyethane;prop-2-enyl 2-hydroxybenzoate is C=CCOC(=O)c1ccccc1O.CCOCC.
What is the InChIKey of ethoxyethane;prop-2-enyl 2-hydroxybenzoate?
The InChIKey is KYDCBAZIXNEQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C4H10O/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2/h2-6,11H,1,7H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;prop-2-enyl 2-hydroxybenzoate?
ethoxyethane;prop-2-enyl 2-hydroxybenzoate has a molecular weight of 252.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;prop-2-enyl 2-hydroxybenzoate is sourced from PubChem (CID 68931624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).