2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene

C29H31F — CID 54469313

IUPAC2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCC1CC=C(c2ccc(-c3ccccc3)c(-c3ccc(CC)cc3)c2F)CC1
InChIInChI=1S/C29H31F/c1-3-8-22-13-15-24(16-14-22)27-20-19-26(23-9-6-5-7-10-23)28(29(27)30)25-17-11-21(4-2)12-18-25/h5-7,9-12,15,17-20,22H,3-4,8,13-14,16H2,1-2H3
InChIKeyXHEGSGLHCPWIAV-UHFFFAOYSA-N
MW398.57 g/mol
LogP8.71
Rot. Bonds6

About 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene

2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene (PubChem CID 54469313) has the molecular formula C29H31F and a molecular weight of 398.57 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene
PubChem CID54469313
Molecular FormulaC29H31F
Molecular Weight398.57 g/mol
Exact Mass398.24
IUPAC Name2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCC1CC=C(c2ccc(-c3ccccc3)c(-c3ccc(CC)cc3)c2F)CC1
InChIInChI=1S/C29H31F/c1-3-8-22-13-15-24(16-14-22)27-20-19-26(23-9-6-5-7-10-23)28(29(27)30)25-17-11-21(4-2)12-18-25/h5-7,9-12,15,17-20,22H,3-4,8,13-14,16H2,1-2H3
InChIKeyXHEGSGLHCPWIAV-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313
4-ethyl-2-fluoro-1-[4-[2-(4-propylcyclohexen-1-yl)ethynyl]phenyl]benzene
CID 19985122
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexen-1-yl)benzene
CID 118601350
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 59257225
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
CID 14495643
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-propoxybenzene
CID 67731464
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-octylbenzene
CID 67731413

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene?
The IUPAC name of 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene (CID 54469313) is 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene.
What is the SMILES notation for 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene?
The canonical SMILES for 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene is CCCC1CC=C(c2ccc(-c3ccccc3)c(-c3ccc(CC)cc3)c2F)CC1.
What is the InChIKey of 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene?
The InChIKey is XHEGSGLHCPWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F/c1-3-8-22-13-15-24(16-14-22)27-20-19-26(23-9-6-5-7-10-23)28(29(27)30)25-17-11-21(4-2)12-18-25/h5-7,9-12,15,17-20,22H,3-4,8,13-14,16H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene?
2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene has a molecular weight of 398.57 g/mol, XLogP of 8.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-fluoro-1-phenyl-4-(4-propylcyclohexen-1-yl)benzene is sourced from PubChem (CID 54469313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).