(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene

C24H26F2O — CID 143103458

IUPAC(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene
SMILESC=C(C)/C(=C(\O)c1ccc(F)c(F)c1)c1cc(C(=C)C)ccc1C.C=CC
InChIInChI=1S/C21H20F2O.C3H6/c1-12(2)15-7-6-14(5)17(10-15)20(13(3)4)21(24)16-8-9-18(22)19(23)11-16;1-3-2/h6-11,24H,1,3H2,2,4-5H3;3H,1H2,2H3/b21-20+;
InChIKeyQRVUCYZIPYFXNE-ANVLNOONSA-N
MW368.47 g/mol
LogP7.50
Rot. Bonds4

About (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene

(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene (PubChem CID 143103458) has the molecular formula C24H26F2O and a molecular weight of 368.47 g/mol. Its IUPAC name is (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene.

Molecular Properties

Compound Name(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene
PubChem CID143103458
Molecular FormulaC24H26F2O
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene
SMILESC=C(C)/C(=C(\O)c1ccc(F)c(F)c1)c1cc(C(=C)C)ccc1C.C=CC
InChIInChI=1S/C21H20F2O.C3H6/c1-12(2)15-7-6-14(5)17(10-15)20(13(3)4)21(24)16-8-9-18(22)19(23)11-16;1-3-2/h6-11,24H,1,3H2,2,4-5H3;3H,1H2,2H3/b21-20+;
InChIKeyQRVUCYZIPYFXNE-ANVLNOONSA-N
XLogP7.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene?
The IUPAC name of (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene (CID 143103458) is (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene.
What is the SMILES notation for (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene?
The canonical SMILES for (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene is C=C(C)/C(=C(\O)c1ccc(F)c(F)c1)c1cc(C(=C)C)ccc1C.C=CC.
What is the InChIKey of (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene?
The InChIKey is QRVUCYZIPYFXNE-ANVLNOONSA-N. The full InChI is InChI=1S/C21H20F2O.C3H6/c1-12(2)15-7-6-14(5)17(10-15)20(13(3)4)21(24)16-8-9-18(22)19(23)11-16;1-3-2/h6-11,24H,1,3H2,2,4-5H3;3H,1H2,2H3/b21-20+;.
What are the key properties of (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene?
(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene has a molecular weight of 368.47 g/mol, XLogP of 7.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene is sourced from PubChem (CID 143103458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).