(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol

C15H12F2O — CID 56837935

IUPAC(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12F2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10,15,18H/b8-7+
InChIKeyVPWJREDKQMKYGV-BQYQJAHWSA-N
MW246.26 g/mol
LogP3.71
Rot. Bonds3

About (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol

(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol (PubChem CID 56837935) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol
PubChem CID56837935
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12F2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10,15,18H/b8-7+
InChIKeyVPWJREDKQMKYGV-BQYQJAHWSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
CID 142022968
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
3-(3-fluorophenyl)prop-2-enoate
CID 53448593

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol (CID 56837935) is (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol is OC(/C=C/c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol?
The InChIKey is VPWJREDKQMKYGV-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12F2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10,15,18H/b8-7+.
What are the key properties of (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol?
(E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol has a molecular weight of 246.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(3-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 56837935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).