2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene

C16H21FO2 — CID 144809408

IUPAC2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(C2CCC(OC)CC2)cc1F
InChIInChI=1S/C16H21FO2/c1-3-10-19-16-9-6-13(11-15(16)17)12-4-7-14(18-2)8-5-12/h3,6,9-12,14H,4-5,7-8H2,1-2H3/b10-3+
InChIKeyPAFHTHOFYZWRDF-XCVCLJGOSA-N
MW264.34 g/mol
LogP4.41
Rot. Bonds4

About 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene

2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene (PubChem CID 144809408) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
PubChem CID144809408
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(C2CCC(OC)CC2)cc1F
InChIInChI=1S/C16H21FO2/c1-3-10-19-16-9-6-13(11-15(16)17)12-4-7-14(18-2)8-5-12/h3,6,9-12,14H,4-5,7-8H2,1-2H3/b10-3+
InChIKeyPAFHTHOFYZWRDF-XCVCLJGOSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809434
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1,3-difluoro-5-(4-methoxycyclohexyl)benzene
CID 174716619
3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene
CID 166084278
2,3-difluoro-1-prop-1-enoxy-4-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]benzene
CID 123809701
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
2,3-difluoro-1-[4-(4-heptylcyclohexyl)phenyl]-4-[(Z)-prop-1-enoxy]benzene
CID 134358629
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161498

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene?
The IUPAC name of 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene (CID 144809408) is 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene.
What is the SMILES notation for 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene?
The canonical SMILES for 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene is C/C=C/Oc1ccc(C2CCC(OC)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene?
The InChIKey is PAFHTHOFYZWRDF-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H21FO2/c1-3-10-19-16-9-6-13(11-15(16)17)12-4-7-14(18-2)8-5-12/h3,6,9-12,14H,4-5,7-8H2,1-2H3/b10-3+.
What are the key properties of 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene?
2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene has a molecular weight of 264.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene is sourced from PubChem (CID 144809408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).