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

C15H12ClFO — CID 14497611

IUPAC(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
SMILESOC/C(=C/c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-9,18H,10H2/b13-9-
InChIKeyYNRFTULAPDSQJQ-LCYFTJDESA-N
MW262.71 g/mol
LogP4.01
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 14497611) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
PubChem CID14497611
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
SMILESOC/C(=C/c1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-9,18H,10H2/b13-9-
InChIKeyYNRFTULAPDSQJQ-LCYFTJDESA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol (CID 14497611) is (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol is OC/C(=C/c1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is YNRFTULAPDSQJQ-LCYFTJDESA-N. The full InChI is InChI=1S/C15H12ClFO/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-9,18H,10H2/b13-9-.
What are the key properties of (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol?
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 262.71 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 14497611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).