1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene

C18H25FO — CID 19097885

IUPAC1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FO/c1-20-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(19)13-11-17/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+
InChIKeyLHFXDXVARAPYDW-NSCUHMNNSA-N
MW276.40 g/mol
LogP4.77
Rot. Bonds6

About 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene

1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene (PubChem CID 19097885) has the molecular formula C18H25FO and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
PubChem CID19097885
Molecular FormulaC18H25FO
Molecular Weight276.40 g/mol
Exact Mass276.19
IUPAC Name1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FO/c1-20-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(19)13-11-17/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+
InChIKeyLHFXDXVARAPYDW-NSCUHMNNSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene (CID 19097885) is 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene is COC/C=C/C1CCC(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
The InChIKey is LHFXDXVARAPYDW-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H25FO/c1-20-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(19)13-11-17/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+.
What are the key properties of 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene?
1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene has a molecular weight of 276.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 19097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).