4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene

C24H22ClFO — CID 21269893

IUPAC4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(CCCC2(c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1
InChIInChI=1S/C24H22ClFO/c25-20-11-9-19(10-12-20)24(15-16-24)14-4-5-18-8-13-22(26)23(17-18)27-21-6-2-1-3-7-21/h1-3,6-13,17H,4-5,14-16H2
InChIKeyYZEACYVGTSPMHK-UHFFFAOYSA-N
MW380.89 g/mol
LogP7.33
Rot. Bonds7

About 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene

4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene (PubChem CID 21269893) has the molecular formula C24H22ClFO and a molecular weight of 380.89 g/mol. Its IUPAC name is 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
PubChem CID21269893
Molecular FormulaC24H22ClFO
Molecular Weight380.89 g/mol
Exact Mass380.13
IUPAC Name4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(CCCC2(c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1
InChIInChI=1S/C24H22ClFO/c25-20-11-9-19(10-12-20)24(15-16-24)14-4-5-18-8-13-22(26)23(17-18)27-21-6-2-1-3-7-21/h1-3,6-13,17H,4-5,14-16H2
InChIKeyYZEACYVGTSPMHK-UHFFFAOYSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene 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 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene (CID 21269893) is 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene is Fc1ccc(CCCC2(c3ccc(Cl)cc3)CC2)cc1Oc1ccccc1.
What is the InChIKey of 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene?
The InChIKey is YZEACYVGTSPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFO/c25-20-11-9-19(10-12-20)24(15-16-24)14-4-5-18-8-13-22(26)23(17-18)27-21-6-2-1-3-7-21/h1-3,6-13,17H,4-5,14-16H2.
What are the key properties of 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene?
4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene has a molecular weight of 380.89 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 21269893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).