1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene

C17H25FO — CID 173416825

IUPAC1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
SMILESCCCCC1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FO/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h9-12,14-15H,2-8,13H2,1H3
InChIKeyXZIFHTJADZGADJ-UHFFFAOYSA-N
MW264.38 g/mol
LogP5.20
Rot. Bonds6

About 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene

1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene (PubChem CID 173416825) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
PubChem CID173416825
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
SMILESCCCCC1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FO/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h9-12,14-15H,2-8,13H2,1H3
InChIKeyXZIFHTJADZGADJ-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
1-fluoro-4-[[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 19380410
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-fluoro-4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]benzene
CID 67864376
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene?
The IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene (CID 173416825) is 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene is CCCCC1CCC(COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene?
The InChIKey is XZIFHTJADZGADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h9-12,14-15H,2-8,13H2,1H3.
What are the key properties of 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene?
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene has a molecular weight of 264.38 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 173416825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).