(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene

C27H31FO — CID 70908999

IUPAC(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene
SMILESC=c1c(O[C@H]2c3ccccc3CCC2C2CCCCC2)ccc(F)/c1=C/C=C\C
InChIInChI=1S/C27H31FO/c1-3-4-13-22-19(2)26(18-17-25(22)28)29-27-23-14-9-8-12-21(23)15-16-24(27)20-10-6-5-7-11-20/h3-4,8-9,12-14,17-18,20,24,27H,2,5-7,10-11,15-16H2,1H3/b4-3-,22-13+/t24?,27-/m0/s1
InChIKeyPZMNIJRRIQLARM-GHYVPXCNSA-N
MW390.54 g/mol
LogP5.86
Rot. Bonds4

About (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene

(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 70908999) has the molecular formula C27H31FO and a molecular weight of 390.54 g/mol. Its IUPAC name is (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene
PubChem CID70908999
Molecular FormulaC27H31FO
Molecular Weight390.54 g/mol
Exact Mass390.24
IUPAC Name(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene
SMILESC=c1c(O[C@H]2c3ccccc3CCC2C2CCCCC2)ccc(F)/c1=C/C=C\C
InChIInChI=1S/C27H31FO/c1-3-4-13-22-19(2)26(18-17-25(22)28)29-27-23-14-9-8-12-21(23)15-16-24(27)20-10-6-5-7-11-20/h3-4,8-9,12-14,17-18,20,24,27H,2,5-7,10-11,15-16H2,1H3/b4-3-,22-13+/t24?,27-/m0/s1
InChIKeyPZMNIJRRIQLARM-GHYVPXCNSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.54
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
CID 91346977
(1S)-N-methyl-3-[(1R,2R)-1-naphthalen-1-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexan-1-amine
CID 143950948
(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143950505
3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol
CID 91027516
(1S)-3-[(1R,2R)-1-(4-bromo-3-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
CID 143950608
(1S,2S)-2-cyclopentyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 144704080
(1R,4aR,10aR)-1-[(1E,3E)-penta-1,3-dienyl]-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 11436683
2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
CID 139448646
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
[2-cyclohexyl-6-[3-[1-(2-methylprop-2-enoyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentyl]-1,2,3,4-tetrahydronaphthalen-1-yl] 2,2-dimethylpropanoate
CID 130411183
(1R,2R)-2-bromo-1-(2-bromo-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
CID 10475823
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393748

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene (CID 70908999) is (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene is C=c1c(O[C@H]2c3ccccc3CCC2C2CCCCC2)ccc(F)/c1=C/C=C\C.
What is the InChIKey of (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PZMNIJRRIQLARM-GHYVPXCNSA-N. The full InChI is InChI=1S/C27H31FO/c1-3-4-13-22-19(2)26(18-17-25(22)28)29-27-23-14-9-8-12-21(23)15-16-24(27)20-10-6-5-7-11-20/h3-4,8-9,12-14,17-18,20,24,27H,2,5-7,10-11,15-16H2,1H3/b4-3-,22-13+/t24?,27-/m0/s1.
What are the key properties of (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 390.54 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 70908999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).