(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one

C19H16ClFO4 — CID 46702898

IUPAC(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1cc(O)c(C(=O)/C=C/C=C(\Cl)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H16ClFO4/c1-24-14-10-17(23)19(18(11-14)25-2)16(22)5-3-4-15(20)12-6-8-13(21)9-7-12/h3-11,23H,1-2H3/b5-3+,15-4-
InChIKeyZSJPCUMKXAOTBV-MUKQYHNNSA-N
MW362.78 g/mol
LogP4.57
Rot. Bonds6

About (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one

(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one (PubChem CID 46702898) has the molecular formula C19H16ClFO4 and a molecular weight of 362.78 g/mol. Its IUPAC name is (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one
PubChem CID46702898
Molecular FormulaC19H16ClFO4
Molecular Weight362.78 g/mol
Exact Mass362.07
IUPAC Name(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1cc(O)c(C(=O)/C=C/C=C(\Cl)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C19H16ClFO4/c1-24-14-10-17(23)19(18(11-14)25-2)16(22)5-3-4-15(20)12-6-8-13(21)9-7-12/h3-11,23H,1-2H3/b5-3+,15-4-
InChIKeyZSJPCUMKXAOTBV-MUKQYHNNSA-N
XLogP4.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-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

(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 3938424
(Z)-3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 98822160
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 6440299
N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
CID 137084062
3-(2-ethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 162819524
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 174844694
(E)-3-(3,5-difluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 139593021
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
(2E,4E)-1-(4-fluorophenyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)penta-2,4-dien-1-one
CID 127037961
(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
CID 151234813
(E)-3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 8856238

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one (CID 46702898) is (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one is COc1cc(O)c(C(=O)/C=C/C=C(\Cl)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one?
The InChIKey is ZSJPCUMKXAOTBV-MUKQYHNNSA-N. The full InChI is InChI=1S/C19H16ClFO4/c1-24-14-10-17(23)19(18(11-14)25-2)16(22)5-3-4-15(20)12-6-8-13(21)9-7-12/h3-11,23H,1-2H3/b5-3+,15-4-.
What are the key properties of (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one?
(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one has a molecular weight of 362.78 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 46702898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).