(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol

C15H10F4O — CID 122381477

IUPAC(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1ccccc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H10F4O/c16-10-8-11(17)15(19)13(14(10)18)12(20)7-6-9-4-2-1-3-5-9/h1-8,12,20H/b7-6+
InChIKeyMQMVYLVEOIBUEH-VOTSOKGWSA-N
MW282.24 g/mol
LogP3.99
Rot. Bonds3

About (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol

(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol (PubChem CID 122381477) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
PubChem CID122381477
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1ccccc1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H10F4O/c16-10-8-11(17)15(19)13(14(10)18)12(20)7-6-9-4-2-1-3-5-9/h1-8,12,20H/b7-6+
InChIKeyMQMVYLVEOIBUEH-VOTSOKGWSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol (CID 122381477) is (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol is OC(/C=C/c1ccccc1)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol?
The InChIKey is MQMVYLVEOIBUEH-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H10F4O/c16-10-8-11(17)15(19)13(14(10)18)12(20)7-6-9-4-2-1-3-5-9/h1-8,12,20H/b7-6+.
What are the key properties of (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol?
(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol has a molecular weight of 282.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 122381477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).