1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene

C28H36F2O — CID 58555645

IUPAC1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)C1
InChIInChI=1S/C28H36F2O/c1-3-5-19-6-7-24(18-19)22-10-8-20(9-11-22)21-12-14-23(15-13-21)25-16-17-26(31-4-2)28(30)27(25)29/h12-17,19-20,22,24H,3-11,18H2,1-2H3
InChIKeySDFBUMAHHDNRPS-UHFFFAOYSA-N
MW426.59 g/mol
LogP8.52
Rot. Bonds7

About 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene (PubChem CID 58555645) has the molecular formula C28H36F2O and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
PubChem CID58555645
Molecular FormulaC28H36F2O
Molecular Weight426.59 g/mol
Exact Mass426.27
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)C1
InChIInChI=1S/C28H36F2O/c1-3-5-19-6-7-24(18-19)22-10-8-20(9-11-22)21-12-14-23(15-13-21)25-16-17-26(31-4-2)28(30)27(25)29/h12-17,19-20,22,24H,3-11,18H2,1-2H3
InChIKeySDFBUMAHHDNRPS-UHFFFAOYSA-N
XLogP8.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
(2R,4aR,8aR)-2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809263
1-ethoxy-2,3-difluoro-4-[4-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]phenyl]benzene
CID 58555455
2-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967500
1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene
CID 162050662
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23159713
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene (CID 58555645) is 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene is CCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)C1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene?
The InChIKey is SDFBUMAHHDNRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2O/c1-3-5-19-6-7-24(18-19)22-10-8-20(9-11-22)21-12-14-23(15-13-21)25-16-17-26(31-4-2)28(30)27(25)29/h12-17,19-20,22,24H,3-11,18H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene has a molecular weight of 426.59 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 58555645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).