(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone

C16H11FO — CID 150735803

IUPAC(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone
SMILESC=C=Cc1cccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H11FO/c1-2-4-12-5-3-6-14(11-12)16(18)13-7-9-15(17)10-8-13/h3-11H,1H2
InChIKeyJSULQAZOSMWWON-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.85
Rot. Bonds3

About (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone

(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone (PubChem CID 150735803) has the molecular formula C16H11FO and a molecular weight of 238.26 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone
PubChem CID150735803
Molecular FormulaC16H11FO
Molecular Weight238.26 g/mol
Exact Mass238.08
IUPAC Name(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone
SMILESC=C=Cc1cccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H11FO/c1-2-4-12-5-3-6-14(11-12)16(18)13-7-9-15(17)10-8-13/h3-11H,1H2
InChIKeyJSULQAZOSMWWON-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
(4-fluorophenyl)-(3-iodophenyl)methanone
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(4-fluorophenyl)-phenylmethanone
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2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
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(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
CID 68993545
(4-fluorophenyl)-[3-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]methanone
CID 70116855
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
5-(4-fluorobenzoyl)-2-nitrobenzaldehyde
CID 22405661
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-[(5-methoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 175979321

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone (CID 150735803) is (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone is C=C=Cc1cccc(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone?
The InChIKey is JSULQAZOSMWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO/c1-2-4-12-5-3-6-14(11-12)16(18)13-7-9-15(17)10-8-13/h3-11H,1H2.
What are the key properties of (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone?
(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone has a molecular weight of 238.26 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone is sourced from PubChem (CID 150735803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).