2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene

C20H23FO — CID 144809449

IUPAC2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C20H23FO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-20(22-2)19(21)13-18/h7-15H,3-6H2,1-2H3
InChIKeyNUJZJYKEXPJGDS-UHFFFAOYSA-N
MW298.40 g/mol
LogP5.80
Rot. Bonds3

About 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene

2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 144809449) has the molecular formula C20H23FO and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID144809449
Molecular FormulaC20H23FO
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C20H23FO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-20(22-2)19(21)13-18/h7-15H,3-6H2,1-2H3
InChIKeyNUJZJYKEXPJGDS-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384938
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
(2R,4aR,8aR)-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809401
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384278
1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809434
2,3-difluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158933445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene (CID 144809449) is 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene is COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is NUJZJYKEXPJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO/c1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-20(22-2)19(21)13-18/h7-15H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene?
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 298.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 144809449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).