1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene

C17H19F — CID 130420615

IUPAC1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
SMILESCCc1cccc(CC(C)c2ccccc2)c1F
InChIInChI=1S/C17H19F/c1-3-14-10-7-11-16(17(14)18)12-13(2)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3
InChIKeyQSUAXZGVXPDGNJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.73
Rot. Bonds4

About 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene

1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene (PubChem CID 130420615) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
PubChem CID130420615
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
SMILESCCc1cccc(CC(C)c2ccccc2)c1F
InChIInChI=1S/C17H19F/c1-3-14-10-7-11-16(17(14)18)12-13(2)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3
InChIKeyQSUAXZGVXPDGNJ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene 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-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
4-(2-phenylpropyl)isoindole-1,3-dione
CID 142777474
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
CID 66729762
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene?
The IUPAC name of 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene (CID 130420615) is 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene?
The canonical SMILES for 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene is CCc1cccc(CC(C)c2ccccc2)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene?
The InChIKey is QSUAXZGVXPDGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-3-14-10-7-11-16(17(14)18)12-13(2)15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene?
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene is sourced from PubChem (CID 130420615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).