(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H14F4O3 — CID 6037096

IUPAC(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C(F)=C(\F)C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H14F4O3/c1-25-13-7-3-11(4-8-13)15(20)17(22)19(24)18(23)16(21)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3/b17-15+,18-16+
InChIKeySUOGPBRNNYMAHY-YTEMWHBBSA-N
MW366.31 g/mol
LogP5.19
Rot. Bonds6

About (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (PubChem CID 6037096) has the molecular formula C19H14F4O3 and a molecular weight of 366.31 g/mol. Its IUPAC name is (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
PubChem CID6037096
Molecular FormulaC19H14F4O3
Molecular Weight366.31 g/mol
Exact Mass366.09
IUPAC Name(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C(F)=C(\F)C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H14F4O3/c1-25-13-7-3-11(4-8-13)15(20)17(22)19(24)18(23)16(21)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3/b17-15+,18-16+
InChIKeySUOGPBRNNYMAHY-YTEMWHBBSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.31
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 6295005
butyl (E)-2,3-difluoro-3-(4-methoxyphenyl)prop-2-enoate
CID 100959749
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
[(Z)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-trimethylsilane
CID 11322461
CID 12714057
CID 12714057
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (CID 6037096) is (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is COc1ccc(/C(F)=C(\F)C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The InChIKey is SUOGPBRNNYMAHY-YTEMWHBBSA-N. The full InChI is InChI=1S/C19H14F4O3/c1-25-13-7-3-11(4-8-13)15(20)17(22)19(24)18(23)16(21)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3/b17-15+,18-16+.
What are the key properties of (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one has a molecular weight of 366.31 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 6037096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).