(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol

C15H11ClF2O — CID 155704173

IUPAC(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
SMILESOC/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2O/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8,19H,9H2/b11-7-
InChIKeyYHCQACFFMUMVQZ-XFFZJAGNSA-N
MW280.70 g/mol
LogP4.15
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol

(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol (PubChem CID 155704173) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
PubChem CID155704173
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
SMILESOC/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2O/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8,19H,9H2/b11-7-
InChIKeyYHCQACFFMUMVQZ-XFFZJAGNSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68778468
1,2-dichloro-4-[(Z)-3-chloro-2-(2,4-difluorophenyl)prop-1-enyl]benzene
CID 68781452
(E)-N-aminosulfanyl-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-enamide
CID 155177086
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
1-[3-chloro-1-(2-chlorophenyl)prop-1-en-2-yl]-2,4-difluorobenzene
CID 68781778
(E)-4-(4-chlorophenyl)-3-(2,4-difluorophenyl)but-3-en-2-ol;ethane;3-methylpent-1-yne;propane
CID 155704167
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
1-[2-(2,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enyl]-1,2,4-triazole
CID 54170362
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium
CID 155704139
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2,4-difluorobenzene
CID 24762264
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol (CID 155704173) is (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol is OC/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol?
The InChIKey is YHCQACFFMUMVQZ-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H11ClF2O/c16-12-3-1-10(2-4-12)7-11(9-19)14-6-5-13(17)8-15(14)18/h1-8,19H,9H2/b11-7-.
What are the key properties of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol?
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol has a molecular weight of 280.70 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 155704173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).