1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene

C25H37FO — CID 19380410

IUPAC1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
SMILESCCCC/C=C/C1CCC(C2CCC(COc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H37FO/c1-2-3-4-5-6-20-7-11-22(12-8-20)23-13-9-21(10-14-23)19-27-25-17-15-24(26)16-18-25/h5-6,15-18,20-23H,2-4,7-14,19H2,1H3/b6-5+
InChIKeyYGXGJFSPJALUGL-AATRIKPKSA-N
MW372.57 g/mol
LogP7.56
Rot. Bonds8

About 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene

1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene (PubChem CID 19380410) has the molecular formula C25H37FO and a molecular weight of 372.57 g/mol. Its IUPAC name is 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
PubChem CID19380410
Molecular FormulaC25H37FO
Molecular Weight372.57 g/mol
Exact Mass372.28
IUPAC Name1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
SMILESCCCC/C=C/C1CCC(C2CCC(COc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H37FO/c1-2-3-4-5-6-20-7-11-22(12-8-20)23-13-9-21(10-14-23)19-27-25-17-15-24(26)16-18-25/h5-6,15-18,20-23H,2-4,7-14,19H2,1H3/b6-5+
InChIKeyYGXGJFSPJALUGL-AATRIKPKSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) 4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane-1-carboxylate
CID 67806421
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
1-fluoro-4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]benzene
CID 67864376
1-fluoro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67786063
[(E)-hex-1-enyl]cyclopropane
CID 5352188
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-chloro-4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexane
CID 138567412
1-[2,3-difluoro-4-[[4-[4-(3-fluoroprop-1-enyl)cyclohexyl]cyclohexyl]methoxy]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123582107
4-[(E)-2-[4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexyl]ethenyl]-1-[4-(ethoxymethyl)cyclohexyl]-2-fluorobenzene
CID 20654376

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The IUPAC name of 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene (CID 19380410) is 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene is CCCC/C=C/C1CCC(C2CCC(COc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
The InChIKey is YGXGJFSPJALUGL-AATRIKPKSA-N. The full InChI is InChI=1S/C25H37FO/c1-2-3-4-5-6-20-7-11-22(12-8-20)23-13-9-21(10-14-23)19-27-25-17-15-24(26)16-18-25/h5-6,15-18,20-23H,2-4,7-14,19H2,1H3/b6-5+.
What are the key properties of 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene?
1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene has a molecular weight of 372.57 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene is sourced from PubChem (CID 19380410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).