ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate

C19H20O4 — CID 10543118

IUPACethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)17(13-20)11-16-9-6-10-18(12-16)23-14-15-7-4-3-5-8-15/h3-10,12-13,20H,2,11,14H2,1H3/b17-13+
InChIKeyBQHSLHYXGTVRFF-GHRIWEEISA-N
MW312.37 g/mol
LogP3.81
Rot. Bonds7

About ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate

ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate (PubChem CID 10543118) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate
PubChem CID10543118
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)17(13-20)11-16-9-6-10-18(12-16)23-14-15-7-4-3-5-8-15/h3-10,12-13,20H,2,11,14H2,1H3/b17-13+
InChIKeyBQHSLHYXGTVRFF-GHRIWEEISA-N
XLogP3.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]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 (E)-3-hydroxy-2-[(3-phenoxyphenyl)methyl]prop-2-enoate
CID 10732814
ethyl (E)-3-hydroxy-2-[(3-prop-2-enoxyphenyl)methyl]prop-2-enoate
CID 10355343
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
(E)-3-ethoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 59590470
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
ethyl (E)-2-[(4-chlorophenyl)methyl]-3-hydroxyprop-2-enoate
CID 10083032
ethyl 2-benzyl-3-bromoprop-2-enoate
CID 54485927
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate (CID 10543118) is ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate is CCOC(=O)/C(=C/O)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate?
The InChIKey is BQHSLHYXGTVRFF-GHRIWEEISA-N. The full InChI is InChI=1S/C19H20O4/c1-2-22-19(21)17(13-20)11-16-9-6-10-18(12-16)23-14-15-7-4-3-5-8-15/h3-10,12-13,20H,2,11,14H2,1H3/b17-13+.
What are the key properties of ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate?
ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-hydroxy-2-[(3-phenylmethoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 10543118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).