3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one

C15H9Cl2FO2 — CID 71832779

IUPAC3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one
SMILESO=C(C=COc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2FO2/c16-11-3-1-10(2-4-11)15(19)7-8-20-12-5-6-14(18)13(17)9-12/h1-9H
InChIKeyRDTBYLWDYNLHRN-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.91
Rot. Bonds4

About 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one

3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one (PubChem CID 71832779) has the molecular formula C15H9Cl2FO2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one
PubChem CID71832779
Molecular FormulaC15H9Cl2FO2
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one
SMILESO=C(C=COc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2FO2/c16-11-3-1-10(2-4-11)15(19)7-8-20-12-5-6-14(18)13(17)9-12/h1-9H
InChIKeyRDTBYLWDYNLHRN-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
CID 27014118
(E)-3-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013707
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(E)-3-(3-chloro-4-fluorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 6158591
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
1-(3,4-dichlorophenyl)-3-[2-hydroxy-4-(3-methylbuta-1,3-dienoxy)phenyl]prop-2-en-1-one
CID 175400794
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
(E)-3-(3-chloro-4-fluoroanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858517
ethyl (Z)-2-(4-chlorophenyl)-3-(3,5-difluorophenoxy)prop-2-enoate
CID 139075648
ethyl 2-(4-chlorophenyl)-3-(3,5-difluorophenoxy)prop-2-enoate
CID 91293118

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one (CID 71832779) is 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one is O=C(C=COc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one?
The InChIKey is RDTBYLWDYNLHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO2/c16-11-3-1-10(2-4-11)15(19)7-8-20-12-5-6-14(18)13(17)9-12/h1-9H.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one?
3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one has a molecular weight of 311.14 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 71832779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).