ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate

C12H14O4 — CID 12536283

IUPACethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)ccc1O
InChIInChI=1S/C12H14O4/c1-3-16-12(14)7-4-9-8-10(15-2)5-6-11(9)13/h4-8,13H,3H2,1-2H3/b7-4+
InChIKeyBAOOKMOQGMHKTD-QPJJXVBHSA-N
MW222.24 g/mol
LogP1.98
Rot. Bonds4

About ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate

ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate (PubChem CID 12536283) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
PubChem CID12536283
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Nameethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)ccc1O
InChIInChI=1S/C12H14O4/c1-3-16-12(14)7-4-9-8-10(15-2)5-6-11(9)13/h4-8,13H,3H2,1-2H3/b7-4+
InChIKeyBAOOKMOQGMHKTD-QPJJXVBHSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 70069057
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
ethyl (E)-3-[2-(difluoromethyl)-4-methoxyphenyl]prop-2-enoate
CID 166278174

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate (CID 12536283) is ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate is CCOC(=O)/C=C/c1cc(OC)ccc1O.
What is the InChIKey of ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The InChIKey is BAOOKMOQGMHKTD-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-16-12(14)7-4-9-8-10(15-2)5-6-11(9)13/h4-8,13H,3H2,1-2H3/b7-4+.
What are the key properties of ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 12536283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).