(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol

C23H25F3O2 — CID 118316481

IUPAC(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol
SMILESCCOc1ccc(-c2ccc(C3CCC(/C=C(\F)CO)CC3)cc2)c(F)c1F
InChIInChI=1S/C23H25F3O2/c1-2-28-21-12-11-20(22(25)23(21)26)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-19(24)14-27/h7-13,15-16,27H,2-6,14H2,1H3/b19-13-
InChIKeyRFSNQPOQWAVKHZ-UYRXBGFRSA-N
MW390.45 g/mol
LogP6.15
Rot. Bonds6

About (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol

(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol (PubChem CID 118316481) has the molecular formula C23H25F3O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol
PubChem CID118316481
Molecular FormulaC23H25F3O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol
SMILESCCOc1ccc(-c2ccc(C3CCC(/C=C(\F)CO)CC3)cc2)c(F)c1F
InChIInChI=1S/C23H25F3O2/c1-2-28-21-12-11-20(22(25)23(21)26)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-19(24)14-27/h7-13,15-16,27H,2-6,14H2,1H3/b19-13-
InChIKeyRFSNQPOQWAVKHZ-UYRXBGFRSA-N
XLogP6.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol with MolForge

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
CID 123167531
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179
1-[4-[4-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192
CID 67612605
CID 67612605
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-enyl]phenyl]benzene
CID 77417289
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol?
The IUPAC name of (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol (CID 118316481) is (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol?
The canonical SMILES for (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol is CCOc1ccc(-c2ccc(C3CCC(/C=C(\F)CO)CC3)cc2)c(F)c1F.
What is the InChIKey of (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol?
The InChIKey is RFSNQPOQWAVKHZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H25F3O2/c1-2-28-21-12-11-20(22(25)23(21)26)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-19(24)14-27/h7-13,15-16,27H,2-6,14H2,1H3/b19-13-.
What are the key properties of (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol?
(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol has a molecular weight of 390.45 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol is sourced from PubChem (CID 118316481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).