[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane

C21H30FOP — CID 166903499

IUPAC[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
SMILESCCOc1ccc(C2=CCC(C3CCC(C)CC3)CC2)c(F)c1P
InChIInChI=1S/C21H30FOP/c1-3-23-19-13-12-18(20(22)21(19)24)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h10,12-16H,3-9,11,24H2,1-2H3
InChIKeyYCGMGJYTUYDJCL-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.73
Rot. Bonds4

About [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane

[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane (PubChem CID 166903499) has the molecular formula C21H30FOP and a molecular weight of 348.44 g/mol. Its IUPAC name is [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane.

Molecular Properties

Compound Name[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
PubChem CID166903499
Molecular FormulaC21H30FOP
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
SMILESCCOc1ccc(C2=CCC(C3CCC(C)CC3)CC2)c(F)c1P
InChIInChI=1S/C21H30FOP/c1-3-23-19-13-12-18(20(22)21(19)24)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h10,12-16H,3-9,11,24H2,1-2H3
InChIKeyYCGMGJYTUYDJCL-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethoxy)benzene;ethane
CID 142541001
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
1-[4-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]propan-1-ol
CID 88893818
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
2,3-difluoro-1-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-4-(2,2,2-trifluoroethoxy)benzene
CID 175685847
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257238
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 118316610
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexen-1-yl]benzene
CID 141281492
1-butoxy-2-chloro-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 59256978
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-3-chloro-4-ethoxy-2-fluorobenzene
CID 59256952
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
[4-[2,3-difluoro-4-(1-hydroxypropyl)phenyl]-2,3-difluorophenyl] 4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]cyclohexane-1-carboxylate
CID 88893882

Frequently Asked Questions

What is the IUPAC name of [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane?
The IUPAC name of [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane (CID 166903499) is [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane.
What is the SMILES notation for [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane?
The canonical SMILES for [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane is CCOc1ccc(C2=CCC(C3CCC(C)CC3)CC2)c(F)c1P.
What is the InChIKey of [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane?
The InChIKey is YCGMGJYTUYDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FOP/c1-3-23-19-13-12-18(20(22)21(19)24)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h10,12-16H,3-9,11,24H2,1-2H3.
What are the key properties of [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane?
[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane has a molecular weight of 348.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane is sourced from PubChem (CID 166903499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).