2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene

C16H20F2O2 — CID 141349611

IUPAC2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
SMILESCOC=CC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H20F2O2/c1-19-10-9-11-3-5-12(6-4-11)13-7-8-14(20-2)16(18)15(13)17/h7-12H,3-6H2,1-2H3
InChIKeyLENQZROHYJJBBL-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.41
Rot. Bonds4

About 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene

2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene (PubChem CID 141349611) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
PubChem CID141349611
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
SMILESCOC=CC1CCC(c2ccc(OC)c(F)c2F)CC1
InChIInChI=1S/C16H20F2O2/c1-19-10-9-11-3-5-12(6-4-11)13-7-8-14(20-2)16(18)15(13)17/h7-12H,3-6H2,1-2H3
InChIKeyLENQZROHYJJBBL-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
CID 76658196
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417322
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 58021302
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
CID 90128781
5-[(E)-but-1-enyl]-2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]oxane
CID 58021332
1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118966982

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene (CID 141349611) is 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene is COC=CC1CCC(c2ccc(OC)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene?
The InChIKey is LENQZROHYJJBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c1-19-10-9-11-3-5-12(6-4-11)13-7-8-14(20-2)16(18)15(13)17/h7-12H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene?
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene has a molecular weight of 282.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene is sourced from PubChem (CID 141349611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).