1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

C30H30F4O2 — CID 77471031

IUPAC1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCC=Cc1ccc(-c2ccc(C3CCC(COc4ccc(OCC)c(F)c4F)CC3)c(F)c2F)cc1
InChIInChI=1S/C30H30F4O2/c1-3-5-19-6-10-21(11-7-19)23-14-15-24(28(32)27(23)31)22-12-8-20(9-13-22)18-36-26-17-16-25(35-4-2)29(33)30(26)34/h3,5-7,10-11,14-17,20,22H,4,8-9,12-13,18H2,1-2H3
InChIKeyOHEUBTSLIVENIZ-UHFFFAOYSA-N
MW498.56 g/mol
LogP8.69
Rot. Bonds8

About 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 77471031) has the molecular formula C30H30F4O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID77471031
Molecular FormulaC30H30F4O2
Molecular Weight498.56 g/mol
Exact Mass498.22
IUPAC Name1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCC=Cc1ccc(-c2ccc(C3CCC(COc4ccc(OCC)c(F)c4F)CC3)c(F)c2F)cc1
InChIInChI=1S/C30H30F4O2/c1-3-5-19-6-10-21(11-7-19)23-14-15-24(28(32)27(23)31)22-12-8-20(9-13-22)18-36-26-17-16-25(35-4-2)29(33)30(26)34/h3,5-7,10-11,14-17,20,22H,4,8-9,12-13,18H2,1-2H3
InChIKeyOHEUBTSLIVENIZ-UHFFFAOYSA-N
XLogP8.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470533
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol
CID 77470844
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
1-(4-ethoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 89430318
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]methoxy]-2,3-difluoro-N-methylaniline
CID 162009998
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-[4-[2,3-difluoro-4-[(Z)-prop-1-enoxy]phenyl]phenyl]-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
CID 67730976
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
1-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenoxy]methyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946090
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88857111
1-[4-[2,3-difluoro-4-(4-pent-3-enylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-pentoxybenzene
CID 77343618

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (CID 77471031) is 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is CC=Cc1ccc(-c2ccc(C3CCC(COc4ccc(OCC)c(F)c4F)CC3)c(F)c2F)cc1.
What is the InChIKey of 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is OHEUBTSLIVENIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4O2/c1-3-5-19-6-10-21(11-7-19)23-14-15-24(28(32)27(23)31)22-12-8-20(9-13-22)18-36-26-17-16-25(35-4-2)29(33)30(26)34/h3,5-7,10-11,14-17,20,22H,4,8-9,12-13,18H2,1-2H3.
What are the key properties of 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 498.56 g/mol, XLogP of 8.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 77471031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).