1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene

C23H27FO2 — CID 138459505

IUPAC1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
SMILESC=CCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)cc2)CC1
InChIInChI=1S/C23H27FO2/c1-3-15-26-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-23(25-4-2)22(24)16-20/h3,5-8,11,14,16,18,21H,1,4,9-10,12-13,15H2,2H3
InChIKeyDJPILQYGALIKOY-UHFFFAOYSA-N
MW354.47 g/mol
LogP6.12
Rot. Bonds7

About 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene

1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene (PubChem CID 138459505) has the molecular formula C23H27FO2 and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
PubChem CID138459505
Molecular FormulaC23H27FO2
Molecular Weight354.47 g/mol
Exact Mass354.20
IUPAC Name1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
SMILESC=CCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)cc2)CC1
InChIInChI=1S/C23H27FO2/c1-3-15-26-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-23(25-4-2)22(24)16-20/h3,5-8,11,14,16,18,21H,1,4,9-10,12-13,15H2,2H3
InChIKeyDJPILQYGALIKOY-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459502
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
CID 54732129
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]-1-[(E)-4,4,4-trifluorobut-2-enoxy]benzene
CID 139983621
1-[4-[[4-(4-ethenylphenyl)cyclohexyl]methoxy]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607142
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]methoxy]benzene
CID 89429785
2-ethenyl-5-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]-3-fluorophenyl]oxane
CID 138459509
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 56607354
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene (CID 138459505) is 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene is C=CCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)cc2)CC1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene?
The InChIKey is DJPILQYGALIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FO2/c1-3-15-26-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-23(25-4-2)22(24)16-20/h3,5-8,11,14,16,18,21H,1,4,9-10,12-13,15H2,2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene?
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene has a molecular weight of 354.47 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene is sourced from PubChem (CID 138459505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).