2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

C24H36F2O — CID 126626464

IUPAC2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCC1CCC(C2CCC(C(C)c3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H36F2O/c1-4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)16(2)21-14-15-22(27-3)24(26)23(21)25/h14-20H,4-13H2,1-3H3
InChIKeyCGLHYMXWXYBGNQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP7.49
Rot. Bonds6

About 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 126626464) has the molecular formula C24H36F2O and a molecular weight of 378.55 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID126626464
Molecular FormulaC24H36F2O
Molecular Weight378.55 g/mol
Exact Mass378.27
IUPAC Name2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCC1CCC(C2CCC(C(C)c3ccc(OC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H36F2O/c1-4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)16(2)21-14-15-22(27-3)24(26)23(21)25/h14-20H,4-13H2,1-3H3
InChIKeyCGLHYMXWXYBGNQ-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[1-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]propan-2-yl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 130283220
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 162718702
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-[4-(4-propylcyclohexyl)cyclohexyl]methanone
CID 118287325
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 118967051

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (CID 126626464) is 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is CCCC1CCC(C2CCC(C(C)c3ccc(OC)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is CGLHYMXWXYBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O/c1-4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)16(2)21-14-15-22(27-3)24(26)23(21)25/h14-20H,4-13H2,1-3H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 378.55 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 126626464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).