[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol

C14H18F3O4P — CID 54304124

IUPAC[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol
SMILESCCOP(=O)(C=Cc1ccc(C(F)(F)F)cc1CO)OCC
InChIInChI=1S/C14H18F3O4P/c1-3-20-22(19,21-4-2)8-7-11-5-6-13(14(15,16)17)9-12(11)10-18/h5-9,18H,3-4,10H2,1-2H3
InChIKeySGHIBBBUKFHLLR-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.43
Rot. Bonds7

About [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol

[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 54304124) has the molecular formula C14H18F3O4P and a molecular weight of 338.26 g/mol. Its IUPAC name is [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID54304124
Molecular FormulaC14H18F3O4P
Molecular Weight338.26 g/mol
Exact Mass338.09
IUPAC Name[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol
SMILESCCOP(=O)(C=Cc1ccc(C(F)(F)F)cc1CO)OCC
InChIInChI=1S/C14H18F3O4P/c1-3-20-22(19,21-4-2)8-7-11-5-6-13(14(15,16)17)9-12(11)10-18/h5-9,18H,3-4,10H2,1-2H3
InChIKeySGHIBBBUKFHLLR-UHFFFAOYSA-N
XLogP4.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479615
[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
CID 169476264
3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol
CID 91554178
(E)-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 58111807
4-[(E)-2-diethoxyphosphorylethenyl]benzoic acid
CID 20713084
2-diethoxyphosphoryl-5-(trifluoromethyl)aniline
CID 166609975
2-bromo-1-diethoxyphosphoryl-4-(trifluoromethyl)benzene
CID 166609883
ethyl (E)-2-diethoxyphosphoryl-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5467230
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
1-[chloro(ethoxy)phosphoryl]-4-(trifluoromethyl)benzene
CID 21054122
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840

Frequently Asked Questions

What is the IUPAC name of [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol (CID 54304124) is [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol is CCOP(=O)(C=Cc1ccc(C(F)(F)F)cc1CO)OCC.
What is the InChIKey of [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is SGHIBBBUKFHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3O4P/c1-3-20-22(19,21-4-2)8-7-11-5-6-13(14(15,16)17)9-12(11)10-18/h5-9,18H,3-4,10H2,1-2H3.
What are the key properties of [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol?
[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 338.26 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 54304124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).