1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene

C18H22F2O2 — CID 90161464

IUPAC1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
SMILESC=CC1CCC(COc2ccc(O/C=C/C)c(F)c2F)CC1
InChIInChI=1S/C18H22F2O2/c1-3-11-21-15-9-10-16(18(20)17(15)19)22-12-14-7-5-13(4-2)6-8-14/h3-4,9-11,13-14H,2,5-8,12H2,1H3/b11-3+
InChIKeyZAPNTLQLXBQECV-QDEBKDIKSA-N
MW308.37 g/mol
LogP5.25
Rot. Bonds6

About 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene

1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene (PubChem CID 90161464) has the molecular formula C18H22F2O2 and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
PubChem CID90161464
Molecular FormulaC18H22F2O2
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
SMILESC=CC1CCC(COc2ccc(O/C=C/C)c(F)c2F)CC1
InChIInChI=1S/C18H22F2O2/c1-3-11-21-15-9-10-16(18(20)17(15)19)22-12-14-7-5-13(4-2)6-8-14/h3-4,9-11,13-14H,2,5-8,12H2,1H3/b11-3+
InChIKeyZAPNTLQLXBQECV-QDEBKDIKSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-[(E)-prop-1-enoxy]benzene
CID 90161461
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161576
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161378
1-[4-[4-[(4-ethenylcyclohexyl)methoxy]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607241
2-[4-[4-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88957907
1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 59203793
2-chloro-1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-3-fluoro-4-methoxybenzene
CID 89305817
carbanide;1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;ethynol;molecular hydrogen;vanadium(2+);yttrium
CID 158992757
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
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2,3-difluoro-1-prop-1-enoxy-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]phenyl]benzene
CID 123181388
1-[(E)-but-2-enoxy]-4-[(4-ethenylcyclohexyl)methoxy]-2,3-difluorobenzene;1-[[4-(4-butylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-prop-2-enoxybenzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;1-propyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 160988034

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The IUPAC name of 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene (CID 90161464) is 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene.
What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The canonical SMILES for 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene is C=CC1CCC(COc2ccc(O/C=C/C)c(F)c2F)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
The InChIKey is ZAPNTLQLXBQECV-QDEBKDIKSA-N. The full InChI is InChI=1S/C18H22F2O2/c1-3-11-21-15-9-10-16(18(20)17(15)19)22-12-14-7-5-13(4-2)6-8-14/h3-4,9-11,13-14H,2,5-8,12H2,1H3/b11-3+.
What are the key properties of 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene?
1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene has a molecular weight of 308.37 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohexyl)methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene is sourced from PubChem (CID 90161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).