[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate

C12H14O4 — CID 55562993

IUPAC[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
SMILESC/C=C/COC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H14O4/c1-3-4-7-16-12(14)10-6-5-9(15-2)8-11(10)13/h3-6,8,13H,7H2,1-2H3/b4-3+
InChIKeyBSBXQUZGWJAWFS-ONEGZZNKSA-N
MW222.24 g/mol
LogP2.13
Rot. Bonds4

About [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate

[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 55562993) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
PubChem CID55562993
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
SMILESC/C=C/COC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H14O4/c1-3-4-7-16-12(14)10-6-5-9(15-2)8-11(10)13/h3-6,8,13H,7H2,1-2H3/b4-3+
InChIKeyBSBXQUZGWJAWFS-ONEGZZNKSA-N
XLogP2.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.13
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

2-O,4-O-bis[(E)-but-2-enyl] 1-O-[(Z)-but-2-enyl] benzene-1,2,4-tricarboxylate
CID 59119104
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025
diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
CID 44668198
[phosphanyl(sulfanyl)methyl] 2-hydroxy-4-methoxybenzoate
CID 143623658
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406247
(E)-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 12741452

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate (CID 55562993) is [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate is C/C=C/COC(=O)c1ccc(OC)cc1O.
What is the InChIKey of [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is BSBXQUZGWJAWFS-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-4-7-16-12(14)10-6-5-9(15-2)8-11(10)13/h3-6,8,13H,7H2,1-2H3/b4-3+.
What are the key properties of [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate?
[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 222.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 55562993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).