3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene

C23H32ClFO — CID 143286528

IUPAC3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene
SMILESCCOc1ccc(/C=C/C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F
InChIInChI=1S/C23H32ClFO/c1-3-26-21-15-14-20(22(24)23(21)25)13-8-17-6-11-19(12-7-17)18-9-4-16(2)5-10-18/h8,13-19H,3-7,9-12H2,1-2H3/b13-8+
InChIKeyYGUDLKGYNMINPO-MDWZMJQESA-N
MW378.96 g/mol
LogP7.52
Rot. Bonds5

About 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene

3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene (PubChem CID 143286528) has the molecular formula C23H32ClFO and a molecular weight of 378.96 g/mol. Its IUPAC name is 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene.

Molecular Properties

Compound Name3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene
PubChem CID143286528
Molecular FormulaC23H32ClFO
Molecular Weight378.96 g/mol
Exact Mass378.21
IUPAC Name3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene
SMILESCCOc1ccc(/C=C/C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F
InChIInChI=1S/C23H32ClFO/c1-3-26-21-15-14-20(22(24)23(21)25)13-8-17-6-11-19(12-7-17)18-9-4-16(2)5-10-18/h8,13-19H,3-7,9-12H2,1-2H3/b13-8+
InChIKeyYGUDLKGYNMINPO-MDWZMJQESA-N
XLogP7.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.96
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
3-fluoro-1-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-4-[(4-methylcyclohexyl)methoxy]-2-(trifluoromethyl)benzene
CID 154547462
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-3-(trifluoromethyl)benzene
CID 154547449
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-prop-1-enylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 77440399
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 77440385

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene?
The IUPAC name of 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene (CID 143286528) is 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene.
What is the SMILES notation for 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene?
The canonical SMILES for 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene is CCOc1ccc(/C=C/C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F.
What is the InChIKey of 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene?
The InChIKey is YGUDLKGYNMINPO-MDWZMJQESA-N. The full InChI is InChI=1S/C23H32ClFO/c1-3-26-21-15-14-20(22(24)23(21)25)13-8-17-6-11-19(12-7-17)18-9-4-16(2)5-10-18/h8,13-19H,3-7,9-12H2,1-2H3/b13-8+.
What are the key properties of 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene?
3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene has a molecular weight of 378.96 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene is sourced from PubChem (CID 143286528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).