1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene

C24H34F2O2 — CID 59203779

IUPAC1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
SMILESC/C=C/C1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h3,5,14-15,17-20H,4,6-13,16H2,1-2H3/b5-3+
InChIKeyQRPWINPUDPHOBM-HWKANZROSA-N
MW392.53 g/mol
LogP6.93
Rot. Bonds7

About 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene

1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene (PubChem CID 59203779) has the molecular formula C24H34F2O2 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
PubChem CID59203779
Molecular FormulaC24H34F2O2
Molecular Weight392.53 g/mol
Exact Mass392.25
IUPAC Name1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
SMILESC/C=C/C1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h3,5,14-15,17-20H,4,6-13,16H2,1-2H3/b5-3+
InChIKeyQRPWINPUDPHOBM-HWKANZROSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145
Hydroquinone dibenzyl ether
CID 69315
trans-1-Butoxy-4-(4-propylcyclohexyl)benzene
CID 583799
1-Ethoxy-4-(4-propylcyclohexyl)benzene
CID 595182
Benzene, 1-ethoxy-2,3-difluoro-4-((trans,trans)-4'-propyl(1,1'-bicyclohexyl)-4-yl)-
CID 11417199
Benzene, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-
CID 19103501
5-Ethyl-2-[3',5'-difluoro-4'-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,1'-biphenyl-4-yl]tetrahydro-2H-pyran
CID 58995748
4-Ethoxy-4'-(4-ethylcyclohexyl)-2,3-difluorobiphenyl
CID 58997815
4-Ethoxy-2,3-difluoro-4'-propyl-1,1'-biphenyl
CID 68642346
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
Benzene, 1,1'-(2-methylpropylidene)bis(4-ethoxy-
CID 41819
1~4~-Ethyl-3~4~-(trifluoromethoxy)-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 604782

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene (CID 59203779) is 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene is C/C=C/C1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The InChIKey is QRPWINPUDPHOBM-HWKANZROSA-N. The full InChI is InChI=1S/C24H34F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h3,5,14-15,17-20H,4,6-13,16H2,1-2H3/b5-3+.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene has a molecular weight of 392.53 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene is sourced from PubChem (CID 59203779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).