ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate

C19H20O3 — CID 122190267

IUPACethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate
SMILESC=C(C(=O)OCC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-3-22-19(21)14(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,2-3H2,1H3/t17-,18+/m0/s1
InChIKeyAUNMERFQWVMSIN-ZWKOTPCHSA-N
MW296.37 g/mol
LogP3.62
Rot. Bonds6

About ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate

ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate (PubChem CID 122190267) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate.

Molecular Properties

Compound Nameethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate
PubChem CID122190267
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate
SMILESC=C(C(=O)OCC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-3-22-19(21)14(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,2-3H2,1H3/t17-,18+/m0/s1
InChIKeyAUNMERFQWVMSIN-ZWKOTPCHSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate 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 2-methylidene-3-phenylbutanoate
CID 10081635
ethyl (4R)-4-hydroxy-2-methylidene-4-phenylbutanoate
CID 101053661
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 2-[(R)-anilino(phenyl)methyl]prop-2-enoate
CID 102132707
ethyl (Z,4R,5R)-2-bromo-4,5-dihydroxy-5-phenylpent-2-enoate
CID 10781606
ethyl 2-[hydroxy(phenyl)methyl]-4-methylpent-4-enoate
CID 134956272
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
CID 7321538
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
diethyl 2-methylidene-3-[nitro(phenyl)methyl]butanedioate
CID 101497480

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate?
The IUPAC name of ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate (CID 122190267) is ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate.
What is the SMILES notation for ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate?
The canonical SMILES for ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate is C=C(C(=O)OCC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate?
The InChIKey is AUNMERFQWVMSIN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-22-19(21)14(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17-18,20H,2-3H2,1H3/t17-,18+/m0/s1.
What are the key properties of ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate?
ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate has a molecular weight of 296.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate is sourced from PubChem (CID 122190267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).