propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate

C14H18O4 — CID 175118534

IUPACpropyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate
SMILESCCCOC(=O)C(=Cc1ccccc1O)OCC
InChIInChI=1S/C14H18O4/c1-3-9-18-14(16)13(17-4-2)10-11-7-5-6-8-12(11)15/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyGBVFYJCHRHZKFH-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.72
Rot. Bonds6

About propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate

propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate (PubChem CID 175118534) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate
PubChem CID175118534
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namepropyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate
SMILESCCCOC(=O)C(=Cc1ccccc1O)OCC
InChIInChI=1S/C14H18O4/c1-3-9-18-14(16)13(17-4-2)10-11-7-5-6-8-12(11)15/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyGBVFYJCHRHZKFH-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenyl]-2-ethoxyprop-2-enoate
CID 139693295
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
ethyl 2-ethoxy-3-(1H-indol-4-yl)prop-2-enoate
CID 69280562
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 4-[2-(2-hydroxyphenyl)-1-phenylethenoxy]butanoate
CID 54544390
propyl 2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 139578130
propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate
CID 57110503
1-O-ethyl 2-O-propyl oxalate
CID 6420312
ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
CID 175073664
ethyl (2E)-2-[(2-formylphenyl)methylidene]butanoate
CID 57427552
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177

Frequently Asked Questions

What is the IUPAC name of propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate (CID 175118534) is propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate is CCCOC(=O)C(=Cc1ccccc1O)OCC.
What is the InChIKey of propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate?
The InChIKey is GBVFYJCHRHZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-9-18-14(16)13(17-4-2)10-11-7-5-6-8-12(11)15/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate?
propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 175118534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).