2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene

C23H33FO — CID 87253088

IUPAC2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCF)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C23H33FO/c1-2-6-18-9-11-19(12-10-18)21-13-14-23(25-16-15-24)22(17-21)20-7-4-3-5-8-20/h7,13-14,17-19H,2-6,8-12,15-16H2,1H3
InChIKeyUFCPIJRMUXPKAY-UHFFFAOYSA-N
MW344.51 g/mol
LogP7.07
Rot. Bonds7

About 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene

2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 87253088) has the molecular formula C23H33FO and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID87253088
Molecular FormulaC23H33FO
Molecular Weight344.51 g/mol
Exact Mass344.25
IUPAC Name2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCF)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C23H33FO/c1-2-6-18-9-11-19(12-10-18)21-13-14-23(25-16-15-24)22(17-21)20-7-4-3-5-8-20/h7,13-14,17-19H,2-6,8-12,15-16H2,1H3
InChIKeyUFCPIJRMUXPKAY-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.51
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
2-(cyclohexen-1-yl)-4-(1-ethylpiperidin-4-yl)aniline
CID 89319687
2-fluoro-1-propoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 67864505
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-butoxy-2-methyl-4-(4-nonylcyclohexyl)benzene
CID 18646819
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369
2-[2-(2-hydroxyethoxy)-5-(4-propylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193064
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene (CID 87253088) is 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCCF)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is UFCPIJRMUXPKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FO/c1-2-6-18-9-11-19(12-10-18)21-13-14-23(25-16-15-24)22(17-21)20-7-4-3-5-8-20/h7,13-14,17-19H,2-6,8-12,15-16H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene?
2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 344.51 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 87253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).