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

C19H20O4 — CID 46868667

IUPACethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1OC)C(O)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-23-19(21)16(18(20)14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)22-2/h4-13,18,20H,3H2,1-2H3/b16-13+
InChIKeyLGRGKMAVFQYNQG-DTQAZKPQSA-N
MW312.37 g/mol
LogP3.38
Rot. Bonds6

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

ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 46868667) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID46868667
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1OC)C(O)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-23-19(21)16(18(20)14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)22-2/h4-13,18,20H,3H2,1-2H3/b16-13+
InChIKeyLGRGKMAVFQYNQG-DTQAZKPQSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
ethyl (2E,4E)-2-[hydroxy(phenyl)methyl]hexa-2,4-dienoate
CID 101377284
ethyl (Z)-2-[(R)-hydroxy-(4-phenylphenyl)methyl]-3-iodoprop-2-enoate
CID 101469468
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-[(4-fluorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 72834447
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl (2E,4Z)-2-[hydroxy-(4-phenylphenyl)methyl]hexa-2,4-dienoate
CID 101377294
ethyl (Z)-2-[(R)-(4-bromophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 101469464
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl (Z)-2-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-3-phenylprop-2-enoate
CID 11068707
ethyl (Z)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 11372031

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate (CID 46868667) is ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate is CCOC(=O)/C(=C/c1ccccc1OC)C(O)c1ccccc1.
What is the InChIKey of ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is LGRGKMAVFQYNQG-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-23-19(21)16(18(20)14-9-5-4-6-10-14)13-15-11-7-8-12-17(15)22-2/h4-13,18,20H,3H2,1-2H3/b16-13+.
What are the key properties of ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate?
ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 46868667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).