ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate

C13H15NO5 — CID 123686299

IUPACethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)NOC)c(O)c1
InChIInChI=1S/C13H15NO5/c1-3-19-12(16)7-5-9-4-6-10(11(15)8-9)13(17)14-18-2/h4-8,15H,3H2,1-2H3,(H,14,17)
InChIKeySUKWGFOZCOKNDY-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.26
Rot. Bonds5

About ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate

ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate (PubChem CID 123686299) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate
PubChem CID123686299
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)NOC)c(O)c1
InChIInChI=1S/C13H15NO5/c1-3-19-12(16)7-5-9-4-6-10(11(15)8-9)13(17)14-18-2/h4-8,15H,3H2,1-2H3,(H,14,17)
InChIKeySUKWGFOZCOKNDY-UHFFFAOYSA-N
XLogP1.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxycarbonylphenyl]benzoate
CID 10528197
ethyl (E)-3-[3-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]prop-2-enoate
CID 86725225
4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxybenzoic acid
CID 169480785
methyl 2-amino-5-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 169480837
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
2-methoxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 138530546
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate (CID 123686299) is ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(C(=O)NOC)c(O)c1.
What is the InChIKey of ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate?
The InChIKey is SUKWGFOZCOKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-19-12(16)7-5-9-4-6-10(11(15)8-9)13(17)14-18-2/h4-8,15H,3H2,1-2H3,(H,14,17).
What are the key properties of ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate?
ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate has a molecular weight of 265.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-hydroxy-4-(methoxycarbamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 123686299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).