2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C23H35FO2 — CID 21263652

IUPAC2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(OC)c(F)c(OC)c3)CC2)CC1
InChIInChI=1S/C23H35FO2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(25-2)23(24)22(15-20)26-3/h14-19H,4-13H2,1-3H3
InChIKeyQMIKFYHFGVNEPY-UHFFFAOYSA-N
MW362.53 g/mol
LogP6.72
Rot. Bonds6

About 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 21263652) has the molecular formula C23H35FO2 and a molecular weight of 362.53 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID21263652
Molecular FormulaC23H35FO2
Molecular Weight362.53 g/mol
Exact Mass362.26
IUPAC Name2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(OC)c(F)c(OC)c3)CC2)CC1
InChIInChI=1S/C23H35FO2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(25-2)23(24)22(15-20)26-3/h14-19H,4-13H2,1-3H3
InChIKeyQMIKFYHFGVNEPY-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
4-but-3-enyl-2,3-difluoro-1-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173390288
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
CID 145059874
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 59915717

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 21263652) is 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cc(OC)c(F)c(OC)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is QMIKFYHFGVNEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FO2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(25-2)23(24)22(15-20)26-3/h14-19H,4-13H2,1-3H3.
What are the key properties of 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 362.53 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 21263652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).