4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol

C25H30FNO2 — CID 121427054

IUPAC4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol
SMILESOc1ccc(C(=C2CCCCC2)c2ccc(OCCN3CC(CF)C3)cc2)cc1
InChIInChI=1S/C25H30FNO2/c26-16-19-17-27(18-19)14-15-29-24-12-8-22(9-13-24)25(20-4-2-1-3-5-20)21-6-10-23(28)11-7-21/h6-13,19,28H,1-5,14-18H2
InChIKeyDGRFBBAXBNMKSS-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.44
Rot. Bonds7

About 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol

4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol (PubChem CID 121427054) has the molecular formula C25H30FNO2 and a molecular weight of 395.52 g/mol. Its IUPAC name is 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol
PubChem CID121427054
Molecular FormulaC25H30FNO2
Molecular Weight395.52 g/mol
Exact Mass395.23
IUPAC Name4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol
SMILESOc1ccc(C(=C2CCCCC2)c2ccc(OCCN3CC(CF)C3)cc2)cc1
InChIInChI=1S/C25H30FNO2/c26-16-19-17-27(18-19)14-15-29-24-12-8-22(9-13-24)25(20-4-2-1-3-5-20)21-6-10-23(28)11-7-21/h6-13,19,28H,1-5,14-18H2
InChIKeyDGRFBBAXBNMKSS-UHFFFAOYSA-N
XLogP5.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-aminoethoxy)phenyl]-cyclohexylidenemethyl]phenol
CID 23728510
4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol
CID 86155740
acetylene;1,1-difluorocyclohexane;3-(fluoromethyl)-1-(2-phenoxyethyl)azetidine;5,6,7,8-tetrahydronaphthalen-2-ol
CID 145309212
4-[cyclooctylidene-(4-phenylmethoxyphenyl)methyl]phenol
CID 69163901
[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methanone
CID 122631810
2-(2,2-difluoro-3-hydroxypropyl)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 145380067
ethyl 6-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenoxy]hexanoate
CID 46202250
1-[4-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-piperidin-1-ylethanone
CID 175548154
2-(2,2-difluoropropyl)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-1,3,4,5-tetrahydro-2-benzazepin-7-ol
CID 134501688
(2S)-3-cyclohexyl-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
CID 155530321
1-[[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3-methylindol-5-ol
CID 121415579
2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-fluoro-2-methylphenyl)-4-methyl-2H-chromen-6-ol
CID 121410063

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol?
The IUPAC name of 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol (CID 121427054) is 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol.
What is the SMILES notation for 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol?
The canonical SMILES for 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol is Oc1ccc(C(=C2CCCCC2)c2ccc(OCCN3CC(CF)C3)cc2)cc1.
What is the InChIKey of 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol?
The InChIKey is DGRFBBAXBNMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO2/c26-16-19-17-27(18-19)14-15-29-24-12-8-22(9-13-24)25(20-4-2-1-3-5-20)21-6-10-23(28)11-7-21/h6-13,19,28H,1-5,14-18H2.
What are the key properties of 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol?
4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol has a molecular weight of 395.52 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylidene-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]phenol is sourced from PubChem (CID 121427054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).