(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one

C28H24FNO2 — CID 139200188

IUPAC(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one
SMILESCC(C)n1c(/C=C/C=C/C(=O)c2ccccc2O)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H24FNO2/c1-19(2)30-24-11-5-3-9-22(24)28(20-15-17-21(29)18-16-20)25(30)12-6-8-14-27(32)23-10-4-7-13-26(23)31/h3-19,31H,1-2H3/b12-6+,14-8+
InChIKeyAIMDEFLXWCDVDL-NJPPSALASA-N
MW425.50 g/mol
LogP7.19
Rot. Bonds6

About (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one

(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one (PubChem CID 139200188) has the molecular formula C28H24FNO2 and a molecular weight of 425.50 g/mol. Its IUPAC name is (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one
PubChem CID139200188
Molecular FormulaC28H24FNO2
Molecular Weight425.50 g/mol
Exact Mass425.18
IUPAC Name(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one
SMILESCC(C)n1c(/C=C/C=C/C(=O)c2ccccc2O)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H24FNO2/c1-19(2)30-24-11-5-3-9-22(24)28(20-15-17-21(29)18-16-20)25(30)12-6-8-14-27(32)23-10-4-7-13-26(23)31/h3-19,31H,1-2H3/b12-6+,14-8+
InChIKeyAIMDEFLXWCDVDL-NJPPSALASA-N
XLogP7.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)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

1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole
CID 4470577
1,2,3,4-Tetrahydropyrido[3,4-b]indole 13
CID 6539928
4-({2-benzoyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol
CID 6539934
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 20
CID 6539935
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 27
CID 6539942
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 30
CID 6539945
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 32
CID 6539947
Indole benzamide 18
CID 6539933
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 21
CID 6539936
1,2,3,4-Tetrahydropyrido[3,4-b]indole 10
CID 6539925
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 35
CID 6539950
1-(1-Benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
CID 742152

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one (CID 139200188) is (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one is CC(C)n1c(/C=C/C=C/C(=O)c2ccccc2O)c(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one?
The InChIKey is AIMDEFLXWCDVDL-NJPPSALASA-N. The full InChI is InChI=1S/C28H24FNO2/c1-19(2)30-24-11-5-3-9-22(24)28(20-15-17-21(29)18-16-20)25(30)12-6-8-14-27(32)23-10-4-7-13-26(23)31/h3-19,31H,1-2H3/b12-6+,14-8+.
What are the key properties of (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one?
(2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one has a molecular weight of 425.50 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-1-(2-hydroxyphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 139200188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).