[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate

C19H20O4 — CID 132500061

IUPAC[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
SMILESCOc1ccc([C@H](/C=C\OC(C)=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-14(20)23-13-12-18(15-8-10-17(22-2)11-9-15)19(21)16-6-4-3-5-7-16/h3-13,18-19,21H,1-2H3/b13-12-/t18-,19-/m0/s1
InChIKeyMTGAOQICVGDTKW-WVECPLPVSA-N
MW312.37 g/mol
LogP3.59
Rot. Bonds6

About [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate

[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate (PubChem CID 132500061) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate.

Molecular Properties

Compound Name[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
PubChem CID132500061
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
SMILESCOc1ccc([C@H](/C=C\OC(C)=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-14(20)23-13-12-18(15-8-10-17(22-2)11-9-15)19(21)16-6-4-3-5-7-16/h3-13,18-19,21H,1-2H3/b13-12-/t18-,19-/m0/s1
InChIKeyMTGAOQICVGDTKW-WVECPLPVSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z,3S,4R)-4-[4-(dimethylamino)phenyl]-4-hydroxy-3-phenylbut-1-enyl] acetate
CID 132500055
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
methyl 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-phenylpent-4-enoate
CID 59927754
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate
CID 177474454
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
CID 132522832
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate?
The IUPAC name of [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate (CID 132500061) is [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate.
What is the SMILES notation for [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate?
The canonical SMILES for [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate is COc1ccc([C@H](/C=C\OC(C)=O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate?
The InChIKey is MTGAOQICVGDTKW-WVECPLPVSA-N. The full InChI is InChI=1S/C19H20O4/c1-14(20)23-13-12-18(15-8-10-17(22-2)11-9-15)19(21)16-6-4-3-5-7-16/h3-13,18-19,21H,1-2H3/b13-12-/t18-,19-/m0/s1.
What are the key properties of [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate?
[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate has a molecular weight of 312.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate is sourced from PubChem (CID 132500061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).