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

C24H28ClF — CID 59257309

IUPAC2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(CCC3=CCC(C)CC3)cc2)c(Cl)c1F
InChIInChI=1S/C24H28ClF/c1-3-4-21-15-16-22(23(25)24(21)26)20-13-11-19(12-14-20)10-9-18-7-5-17(2)6-8-18/h7,11-17H,3-6,8-10H2,1-2H3
InChIKeyBKHQIXKQAPKAHD-UHFFFAOYSA-N
MW370.94 g/mol
LogP7.78
Rot. Bonds6

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

2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene (PubChem CID 59257309) has the molecular formula C24H28ClF and a molecular weight of 370.94 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene.

Molecular Properties

Compound Name2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene
PubChem CID59257309
Molecular FormulaC24H28ClF
Molecular Weight370.94 g/mol
Exact Mass370.19
IUPAC Name2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(CCC3=CCC(C)CC3)cc2)c(Cl)c1F
InChIInChI=1S/C24H28ClF/c1-3-4-21-15-16-22(23(25)24(21)26)20-13-11-19(12-14-20)10-9-18-7-5-17(2)6-8-18/h7,11-17H,3-6,8-10H2,1-2H3
InChIKeyBKHQIXKQAPKAHD-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.94
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
2-[3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]oxirane
CID 89145644
1-[4-[(E)-but-1-enyl]cyclohexen-1-yl]-3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]benzene
CID 59257436
2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858550
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
1-butyl-3-chloro-2-fluoro-4-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59257363
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-butyl-2-chloro-3-fluoro-4-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]benzene
CID 59257200
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzene
CID 59257123
2-[4-[4-[2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963675
1,3,8-trifluoro-6-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459137
2-chloro-3-fluoro-1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-propylbenzene
CID 59257044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene?
The IUPAC name of 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene (CID 59257309) is 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene.
What is the SMILES notation for 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene?
The canonical SMILES for 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene is CCCc1ccc(-c2ccc(CCC3=CCC(C)CC3)cc2)c(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene?
The InChIKey is BKHQIXKQAPKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF/c1-3-4-21-15-16-22(23(25)24(21)26)20-13-11-19(12-14-20)10-9-18-7-5-17(2)6-8-18/h7,11-17H,3-6,8-10H2,1-2H3.
What are the key properties of 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene?
2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene has a molecular weight of 370.94 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-1-[4-[2-(4-methylcyclohexen-1-yl)ethyl]phenyl]-4-propylbenzene is sourced from PubChem (CID 59257309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).