1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one

C19H18F2O3 — CID 75849622

IUPAC1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H18F2O3/c1-3-10-24-18-9-5-13(11-19(18)23-2)4-8-17(22)14-6-7-15(20)16(21)12-14/h4-9,11-12H,3,10H2,1-2H3
InChIKeyOHZUPAMOXOSDFR-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.66
Rot. Bonds7

About 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one

1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one (PubChem CID 75849622) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
PubChem CID75849622
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Name1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H18F2O3/c1-3-10-24-18-9-5-13(11-19(18)23-2)4-8-17(22)14-6-7-15(20)16(21)12-14/h4-9,11-12H,3,10H2,1-2H3
InChIKeyOHZUPAMOXOSDFR-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-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

3-(3,4-difluorophenyl)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 75891151
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447525
4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide
CID 9448183
(E)-3-[4-(3-bromopropoxy)-3-methoxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 68506990
(E)-1-(3,4-difluorophenyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 8826795
4-[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 6215119
3-(3,4-difluorophenyl)-1-(3-methoxy-4-methylsulfanylphenyl)prop-2-en-1-one
CID 75923429
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-propoxyphenyl)prop-2-en-1-one
CID 6212890
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(E)-3-(3-butoxy-4-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 16555480
3-(3-fluorophenyl)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 75891129

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one (CID 75849622) is 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one is CCCOc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one?
The InChIKey is OHZUPAMOXOSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O3/c1-3-10-24-18-9-5-13(11-19(18)23-2)4-8-17(22)14-6-7-15(20)16(21)12-14/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one?
1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one has a molecular weight of 332.35 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75849622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).