2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate

C19H20O4 — CID 12637063

IUPAC2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)OCC(O)CO
InChIInChI=1S/C19H20O4/c1-14(19(22)23-13-18(21)12-20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21H,12-13H2,1H3/b14-11+
InChIKeyTUDARVHBBDCAHK-SDNWHVSQSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds6

About 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate

2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate (PubChem CID 12637063) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate
PubChem CID12637063
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)OCC(O)CO
InChIInChI=1S/C19H20O4/c1-14(19(22)23-13-18(21)12-20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21H,12-13H2,1H3/b14-11+
InChIKeyTUDARVHBBDCAHK-SDNWHVSQSA-N
XLogP2.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid, 3,3'-(1,2-ethenediyldi-4,1-phenylene)bis-, 1,1'-diethyl ester
CID 108492
Strictifolione
CID 637166
(2S)-4-[(13S)-8,13-dihydroxy-14-[2-[(2S)-2-hydroxy-5-(4-phenylphenyl)pentoxy]ethoxy]tetradecyl]-2-methyl-2H-furan-5-one
CID 50925487
oxan-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
CID 56950320
[(1S,2R)-2-[(1S,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] acetate
CID 155567287
[2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
CID 58529094
oxiran-2-ylmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
CID 56950319
2,3-Dihydroxypropyl (E)-3-phenylprop-2-enoate
CID 12637043
[2-Hydroxy-3-(3-phenylprop-2-enoyloxy)propyl] 3-phenylprop-2-enoate
CID 76814010
2-Propenoic acid, 3-(4-phenylphenyl)-, ethyl ester
CID 5377298
Diethyl 2-([1,1'-biphenyl]-4-ylmethylene)malonate
CID 367428
2-Propenoic acid, 2-methyl-3-phenyl-, 1,2-dimethyl-1,2-ethanediyl ester
CID 6448218

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate?
The IUPAC name of 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate (CID 12637063) is 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate?
The canonical SMILES for 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate is C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate?
The InChIKey is TUDARVHBBDCAHK-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H20O4/c1-14(19(22)23-13-18(21)12-20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21H,12-13H2,1H3/b14-11+.
What are the key properties of 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate?
2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl (E)-2-methyl-3-(4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 12637063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).