1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene

C26H32F2O — CID 134358618

IUPAC1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
SMILESC=COc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cc2)c(F)c1F
InChIInChI=1S/C26H32F2O/c1-3-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-18-24(29-4-2)26(28)25(23)27/h4,13-20H,2-3,5-12H2,1H3
InChIKeyWNYQSSLLWOMJAC-UHFFFAOYSA-N
MW398.54 g/mol
LogP8.40
Rot. Bonds9

About 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene

1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene (PubChem CID 134358618) has the molecular formula C26H32F2O and a molecular weight of 398.54 g/mol. Its IUPAC name is 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
PubChem CID134358618
Molecular FormulaC26H32F2O
Molecular Weight398.54 g/mol
Exact Mass398.24
IUPAC Name1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
SMILESC=COc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cc2)c(F)c1F
InChIInChI=1S/C26H32F2O/c1-3-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-18-24(29-4-2)26(28)25(23)27/h4,13-20H,2-3,5-12H2,1H3
InChIKeyWNYQSSLLWOMJAC-UHFFFAOYSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-heptylcyclohexyl)phenyl]-4-[(Z)-prop-1-enoxy]benzene
CID 134358629
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-propoxybenzene
CID 134358520
1-[2,3-difluoro-4-(4-hexylcyclohexyl)phenyl]-4-ethenoxy-2,3-difluorobenzene
CID 134358776
2,3-difluoro-1-(6-methoxyhexoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 90049295
1-[4-[4-(4-butylcyclohexyl)cyclohexyl]phenyl]-2,3-difluoro-4-prop-1-enoxybenzene
CID 123766856
2,3-difluoro-1-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-4-pent-1-enoxybenzene
CID 77343500
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-heptoxybenzene
CID 67730129
2,3-difluoro-1-methoxy-4-[4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886183

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene (CID 134358618) is 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene is C=COc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene?
The InChIKey is WNYQSSLLWOMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2O/c1-3-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-18-24(29-4-2)26(28)25(23)27/h4,13-20H,2-3,5-12H2,1H3.
What are the key properties of 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene?
1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene has a molecular weight of 398.54 g/mol, XLogP of 8.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 134358618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).