(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one

C21H20F2O5 — CID 24828740

IUPAC(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
SMILESCOCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCOC)c(F)c2)cc1F
InChIInChI=1S/C21H20F2O5/c1-25-13-27-20-9-5-15(11-18(20)22)3-7-17(24)8-4-16-6-10-21(19(23)12-16)28-14-26-2/h3-12H,13-14H2,1-2H3/b7-3+,8-4+
InChIKeyKYZZEEMJZRUJFI-FCXRPNKRSA-N
MW390.38 g/mol
LogP4.23
Rot. Bonds10

About (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one

(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one (PubChem CID 24828740) has the molecular formula C21H20F2O5 and a molecular weight of 390.38 g/mol. Its IUPAC name is (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
PubChem CID24828740
Molecular FormulaC21H20F2O5
Molecular Weight390.38 g/mol
Exact Mass390.13
IUPAC Name(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
SMILESCOCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCOC)c(F)c2)cc1F
InChIInChI=1S/C21H20F2O5/c1-25-13-27-20-9-5-15(11-18(20)22)3-7-17(24)8-4-16-6-10-21(19(23)12-16)28-14-26-2/h3-12H,13-14H2,1-2H3/b7-3+,8-4+
InChIKeyKYZZEEMJZRUJFI-FCXRPNKRSA-N
XLogP4.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,4E)-1-[3-bromo-4-(methoxymethoxy)phenyl]-5-[3,5-dibromo-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
CID 24827801
(E)-3-(3-fluoro-4-methoxyphenyl)-1-[6-methoxy-2,4-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 86273903
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]prop-2-enoic acid
CID 29058103
(E)-3-(4-but-2-ynoxy-3-fluorophenyl)prop-2-enoic acid
CID 107692324
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
(E)-3-[4-(2-ethylsulfanylethoxy)-3-fluorophenyl]prop-2-enoic acid
CID 107692273
methyl (E)-3-[4-(methoxymethoxy)-3-nitrophenyl]prop-2-enoate
CID 19801836
1-[4-hydroxy-3-(methoxymethoxy)phenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67388142
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
methyl (3Z,6E)-7-[3,4-bis(methoxymethoxy)phenyl]-2,5-dimethylidenehepta-3,6-dienoate
CID 142209177
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one (CID 24828740) is (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one is COCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCOC)c(F)c2)cc1F.
What is the InChIKey of (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one?
The InChIKey is KYZZEEMJZRUJFI-FCXRPNKRSA-N. The full InChI is InChI=1S/C21H20F2O5/c1-25-13-27-20-9-5-15(11-18(20)22)3-7-17(24)8-4-16-6-10-21(19(23)12-16)28-14-26-2/h3-12H,13-14H2,1-2H3/b7-3+,8-4+.
What are the key properties of (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one?
(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one has a molecular weight of 390.38 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 24828740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).