2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol

C24H25F3O2 — CID 122233970

IUPAC2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol
SMILESC/C=C/C1=C(C(F)(F)F)O[C@H](CCO)[C@@H](c2ccccc2C)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25F3O2/c1-3-9-19-21(17-11-5-4-6-12-17)22(18-13-8-7-10-16(18)2)20(14-15-28)29-23(19)24(25,26)27/h3-13,20-22,28H,14-15H2,1-2H3/b9-3+/t20-,21-,22-/m1/s1
InChIKeyGCLGKGMUZVZVSZ-OOHSOHBOSA-N
MW402.46 g/mol
LogP6.04
Rot. Bonds5

About 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol

2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol (PubChem CID 122233970) has the molecular formula C24H25F3O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol
PubChem CID122233970
Molecular FormulaC24H25F3O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol
SMILESC/C=C/C1=C(C(F)(F)F)O[C@H](CCO)[C@@H](c2ccccc2C)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25F3O2/c1-3-9-19-21(17-11-5-4-6-12-17)22(18-13-8-7-10-16(18)2)20(14-15-28)29-23(19)24(25,26)27/h3-13,20-22,28H,14-15H2,1-2H3/b9-3+/t20-,21-,22-/m1/s1
InChIKeyGCLGKGMUZVZVSZ-OOHSOHBOSA-N
XLogP6.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol with MolForge

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Related Compounds

[2-fluoro-3-(2-methylphenyl)cyclopropyl]methanol
CID 130145185
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ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
ethane;[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 144861754
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 91599001
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
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CID 59912172
2-[(2R,3R,4S)-6-di(propan-2-yloxy)phosphoryl-3-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-2-yl]ethanol
CID 102337229
2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol?
The IUPAC name of 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol (CID 122233970) is 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol is C/C=C/C1=C(C(F)(F)F)O[C@H](CCO)[C@@H](c2ccccc2C)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol?
The InChIKey is GCLGKGMUZVZVSZ-OOHSOHBOSA-N. The full InChI is InChI=1S/C24H25F3O2/c1-3-9-19-21(17-11-5-4-6-12-17)22(18-13-8-7-10-16(18)2)20(14-15-28)29-23(19)24(25,26)27/h3-13,20-22,28H,14-15H2,1-2H3/b9-3+/t20-,21-,22-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol?
2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol has a molecular weight of 402.46 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-3-(2-methylphenyl)-4-phenyl-5-[(E)-prop-1-enyl]-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]ethanol is sourced from PubChem (CID 122233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).