1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene

C36H38F6O2 — CID 58453637

IUPAC1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCc1ccc(C2CCC(OCC3CC=C(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F
InChIInChI=1S/C36H38F6O2/c1-3-5-24-12-15-26(32(38)31(24)37)23-10-13-25(14-11-23)44-20-21-6-8-22(9-7-21)27-16-17-28(34(40)33(27)39)29-18-19-30(43-4-2)36(42)35(29)41/h8,12,15-19,21,23,25H,3-7,9-11,13-14,20H2,1-2H3
InChIKeyNFFKHWDYXDKTPQ-UHFFFAOYSA-N
MW616.69 g/mol
LogP10.47
Rot. Bonds10

About 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene

1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 58453637) has the molecular formula C36H38F6O2 and a molecular weight of 616.69 g/mol. Its IUPAC name is 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID58453637
Molecular FormulaC36H38F6O2
Molecular Weight616.69 g/mol
Exact Mass616.28
IUPAC Name1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCc1ccc(C2CCC(OCC3CC=C(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F
InChIInChI=1S/C36H38F6O2/c1-3-5-24-12-15-26(32(38)31(24)37)23-10-13-25(14-11-23)44-20-21-6-8-22(9-7-21)27-16-17-28(34(40)33(27)39)29-18-19-30(43-4-2)36(42)35(29)41/h8,12,15-19,21,23,25H,3-7,9-11,13-14,20H2,1-2H3
InChIKeyNFFKHWDYXDKTPQ-UHFFFAOYSA-N
XLogP10.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.69
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene 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

2-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohex-3-en-1-yl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88857341
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-[4-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohex-3-en-1-yl]oxymethyl]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88893998
1-[4-[4-[[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]oxymethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453760
1-[4-[4-[[4-(2,3-difluoro-4-pent-3-enylphenyl)cyclohexyl]oxymethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 76790642
1-[4-[4-[2-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453582
1-[4-[4-[[2,3-difluoro-4-[(E)-pent-3-enyl]phenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856344
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330
1-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]methoxy]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967649
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene (CID 58453637) is 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene is CCCc1ccc(C2CCC(OCC3CC=C(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is NFFKHWDYXDKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F6O2/c1-3-5-24-12-15-26(32(38)31(24)37)23-10-13-25(14-11-23)44-20-21-6-8-22(9-7-21)27-16-17-28(34(40)33(27)39)29-18-19-30(43-4-2)36(42)35(29)41/h8,12,15-19,21,23,25H,3-7,9-11,13-14,20H2,1-2H3.
What are the key properties of 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 616.69 g/mol, XLogP of 10.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 58453637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).