(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

C22H17FO2 — CID 118725316

IUPAC(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H17FO2/c1-25-19-12-9-16(10-13-19)11-14-22(24)21-8-3-2-7-20(21)17-5-4-6-18(23)15-17/h2-15H,1H3/b14-11+
InChIKeyPUOPTENSXQYSKO-SDNWHVSQSA-N
MW332.37 g/mol
LogP5.40
Rot. Bonds5

About (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 118725316) has the molecular formula C22H17FO2 and a molecular weight of 332.37 g/mol. Its IUPAC name is (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID118725316
Molecular FormulaC22H17FO2
Molecular Weight332.37 g/mol
Exact Mass332.12
IUPAC Name(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H17FO2/c1-25-19-12-9-16(10-13-19)11-14-22(24)21-8-3-2-7-20(21)17-5-4-6-18(23)15-17/h2-15H,1H3/b14-11+
InChIKeyPUOPTENSXQYSKO-SDNWHVSQSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-[(E)-3-[2-(3-fluorophenyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl]prop-2-enoic acid
CID 175386255
5-[5-[3-[2-(3-fluorophenyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]pentanoic acid
CID 175386257
(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
(E)-1-(2-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 78787194
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
(E)-1-(4-fluoronaphthalen-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 25033985
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 3441199
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (CID 118725316) is (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccccc2-c2cccc(F)c2)cc1.
What is the InChIKey of (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is PUOPTENSXQYSKO-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H17FO2/c1-25-19-12-9-16(10-13-19)11-14-22(24)21-8-3-2-7-20(21)17-5-4-6-18(23)15-17/h2-15H,1H3/b14-11+.
What are the key properties of (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 332.37 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 118725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).