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

C15H20F2O — CID 160793122

IUPAC1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
SMILESC=COc1ccc(C2CCC(C)CC2)c(F)c1F.[H][H]
InChIInChI=1S/C15H18F2O.H2/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;1H
InChIKeySCBWIZSJVWJRIP-UHFFFAOYSA-N
MW254.32 g/mol
LogP5.03
Rot. Bonds3

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

1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen (PubChem CID 160793122) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen.

Molecular Properties

Compound Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
PubChem CID160793122
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
SMILESC=COc1ccc(C2CCC(C)CC2)c(F)c1F.[H][H]
InChIInChI=1S/C15H18F2O.H2/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;1H
InChIKeySCBWIZSJVWJRIP-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 20645953
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161498
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
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
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
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
CID 159485452
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The IUPAC name of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen (CID 160793122) is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen.
What is the SMILES notation for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The canonical SMILES for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen is C=COc1ccc(C2CCC(C)CC2)c(F)c1F.[H][H].
What is the InChIKey of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The InChIKey is SCBWIZSJVWJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O.H2/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;1H.
What are the key properties of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen has a molecular weight of 254.32 g/mol, XLogP of 5.03, 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;molecular hydrogen is sourced from PubChem (CID 160793122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).