1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol

C19H17F3O2 — CID 85290082

IUPAC1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol
SMILESOC(c1ccccc1)C(C#CCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H17F3O2/c20-19(21,22)17(18(23)16-10-5-2-6-11-16)12-7-13-24-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,13-14H2
InChIKeyJUYCNCBHKDGBPC-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.12
Rot. Bonds5

About 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol

1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol (PubChem CID 85290082) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol
PubChem CID85290082
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol
SMILESOC(c1ccccc1)C(C#CCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H17F3O2/c20-19(21,22)17(18(23)16-10-5-2-6-11-16)12-7-13-24-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,13-14H2
InChIKeyJUYCNCBHKDGBPC-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] benzoate
CID 10502120
2-phenyl-7-phenylmethoxyhept-5-yn-3-ol
CID 56646905
6-phenylmethoxyhex-4-yne-1,2-diol
CID 56646910
8-phenylmethoxyoct-1-en-6-yne-3,5-diol
CID 10514573
7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
(2R)-7-phenylmethoxyhept-5-yne-1,2,3-triol
CID 56646956
(E,2S)-1,1,1-trifluoro-5-phenylmethoxypent-3-en-2-ol
CID 10977738
benzyl N-[(2S,3S)-1,1,1-trifluoro-3-hydroxy-3-phenylpropan-2-yl]carbamate
CID 11782745
benzyl (2R,3R)-3-hydroxy-3-phenyl-2-(trifluoromethylsulfonyl)propanoate
CID 174385767
(3R,4R)-4-(4-phenylmethoxybut-2-ynoxy)hexa-1,5-dien-3-ol
CID 44557551
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol
CID 71446241

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol?
The IUPAC name of 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol (CID 85290082) is 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol.
What is the SMILES notation for 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol?
The canonical SMILES for 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol is OC(c1ccccc1)C(C#CCOCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol?
The InChIKey is JUYCNCBHKDGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O2/c20-19(21,22)17(18(23)16-10-5-2-6-11-16)12-7-13-24-14-15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,13-14H2.
What are the key properties of 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol?
1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol has a molecular weight of 334.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol is sourced from PubChem (CID 85290082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).