1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene

C21H25FO — CID 22991614

IUPAC1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene
SMILESCCCC/C(F)=C\c1ccc(Oc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H25FO/c1-3-5-7-19(22)16-18-10-14-21(15-11-18)23-20-12-8-17(6-4-2)9-13-20/h8-16H,3-7H2,1-2H3/b19-16+
InChIKeyDVHDHNDUSJFKHZ-KNTRCKAVSA-N
MW312.43 g/mol
LogP6.93
Rot. Bonds8

About 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene

1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene (PubChem CID 22991614) has the molecular formula C21H25FO and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene
PubChem CID22991614
Molecular FormulaC21H25FO
Molecular Weight312.43 g/mol
Exact Mass312.19
IUPAC Name1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene
SMILESCCCC/C(F)=C\c1ccc(Oc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H25FO/c1-3-5-7-19(22)16-18-10-14-21(15-11-18)23-20-12-8-17(6-4-2)9-13-20/h8-16H,3-7H2,1-2H3/b19-16+
InChIKeyDVHDHNDUSJFKHZ-KNTRCKAVSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butylphenoxy)benzaldehyde
CID 10824839
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol
CID 174962517
4-(4-propylphenoxy)benzonitrile
CID 20986267
[4-(2,2-difluoroethenyl)phenyl] 4-pentylbenzoate
CID 139659284
1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
4-(4-dodecylphenoxy)phenol
CID 134258509
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene?
The IUPAC name of 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene (CID 22991614) is 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene.
What is the SMILES notation for 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene?
The canonical SMILES for 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene is CCCC/C(F)=C\c1ccc(Oc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene?
The InChIKey is DVHDHNDUSJFKHZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H25FO/c1-3-5-7-19(22)16-18-10-14-21(15-11-18)23-20-12-8-17(6-4-2)9-13-20/h8-16H,3-7H2,1-2H3/b19-16+.
What are the key properties of 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene?
1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene has a molecular weight of 312.43 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene is sourced from PubChem (CID 22991614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).