1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene

C15H18F2O — CID 20645953

IUPAC1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESC=COc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,8-11H,1,4-7H2,2H3
InChIKeyIJYBLRQISPVCRU-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.78
Rot. Bonds3

About 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene

1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 20645953) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID20645953
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESC=COc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,8-11H,1,4-7H2,2H3
InChIKeyIJYBLRQISPVCRU-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161498
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[2,3-difluoro-4-(4-hexylcyclohexyl)phenyl]-4-ethenoxy-2,3-difluorobenzene
CID 134358776
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
2-[[2,3-difluoro-4-(4-methylcyclohexyl)phenoxy]-difluoromethyl]-1,3,4-trifluoro-5-(4-methylcyclohexyl)benzene
CID 20705643
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 20645953) is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene is C=COc1ccc(C2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is IJYBLRQISPVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 252.30 g/mol, XLogP of 4.78, 3 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-methylcyclohexyl)benzene is sourced from PubChem (CID 20645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).