1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one

C18H17FO2 — CID 67935753

IUPAC1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one
SMILESCOc1ccc(C=Cc2ccc(F)cc2)c(CC(C)=O)c1
InChIInChI=1S/C18H17FO2/c1-13(20)11-16-12-18(21-2)10-7-15(16)6-3-14-4-8-17(19)9-5-14/h3-10,12H,11H2,1-2H3
InChIKeyXJBVHSVFLBDBQW-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.14
Rot. Bonds5

About 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one

1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one (PubChem CID 67935753) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one
PubChem CID67935753
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one
SMILESCOc1ccc(C=Cc2ccc(F)cc2)c(CC(C)=O)c1
InChIInChI=1S/C18H17FO2/c1-13(20)11-16-12-18(21-2)10-7-15(16)6-3-14-4-8-17(19)9-5-14/h3-10,12H,11H2,1-2H3
InChIKeyXJBVHSVFLBDBQW-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[2-(hydroxymethyl)-4-methoxyphenyl]but-3-en-2-one
CID 157487353
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
3-[(E)-2-(4-fluorophenyl)ethenyl]-7-methoxychromen-2-one
CID 102200353
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 86725608
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one (CID 67935753) is 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one is COc1ccc(C=Cc2ccc(F)cc2)c(CC(C)=O)c1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one?
The InChIKey is XJBVHSVFLBDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-13(20)11-16-12-18(21-2)10-7-15(16)6-3-14-4-8-17(19)9-5-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one?
1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one has a molecular weight of 284.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)ethenyl]-5-methoxyphenyl]propan-2-one is sourced from PubChem (CID 67935753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).