2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene

C23H26ClF — CID 59257271

IUPAC2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(Cl)c1F
InChIInChI=1S/C23H26ClF/c1-3-5-20-14-15-21(22(24)23(20)25)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h8,10-16H,3-7,9H2,1-2H3
InChIKeyHIBGXLSOFGFXSV-UHFFFAOYSA-N
MW356.91 g/mol
LogP7.69
Rot. Bonds5

About 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene

2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene (PubChem CID 59257271) has the molecular formula C23H26ClF and a molecular weight of 356.91 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene.

Molecular Properties

Compound Name2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
PubChem CID59257271
Molecular FormulaC23H26ClF
Molecular Weight356.91 g/mol
Exact Mass356.17
IUPAC Name2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(Cl)c1F
InChIInChI=1S/C23H26ClF/c1-3-5-20-14-15-21(22(24)23(20)25)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h8,10-16H,3-7,9H2,1-2H3
InChIKeyHIBGXLSOFGFXSV-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.91
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene 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-butyl-3-chloro-2-fluoro-4-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59257363
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313
2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene
CID 59257309
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzene
CID 59257123
1-butyl-3-chloro-2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]benzene
CID 59257425
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
2-chloro-3-fluoro-1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-propylbenzene
CID 59257044
3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
CID 59257307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene?
The IUPAC name of 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene (CID 59257271) is 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene.
What is the SMILES notation for 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene?
The canonical SMILES for 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene is CCCc1ccc(-c2ccc(C3=CCC(CC)CC3)cc2)c(Cl)c1F.
What is the InChIKey of 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene?
The InChIKey is HIBGXLSOFGFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF/c1-3-5-20-14-15-21(22(24)23(20)25)19-12-10-18(11-13-19)17-8-6-16(4-2)7-9-17/h8,10-16H,3-7,9H2,1-2H3.
What are the key properties of 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene?
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene has a molecular weight of 356.91 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene is sourced from PubChem (CID 59257271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).