2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol

C37H39FO4 — CID 134580068

IUPAC2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
SMILESOCCOC1CCC(Oc2ccc(C3c4ccc(OCc5ccccc5)cc4CCC3c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C37H39FO4/c38-30-11-6-27(7-12-30)35-20-10-29-24-34(41-25-26-4-2-1-3-5-26)19-21-36(29)37(35)28-8-13-32(14-9-28)42-33-17-15-31(16-18-33)40-23-22-39/h1-9,11-14,19,21,24,31,33,35,37,39H,10,15-18,20,22-23,25H2
InChIKeyHWILIGUKEKRANN-UHFFFAOYSA-N
MW566.71 g/mol
LogP7.97
Rot. Bonds10

About 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol

2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol (PubChem CID 134580068) has the molecular formula C37H39FO4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
PubChem CID134580068
Molecular FormulaC37H39FO4
Molecular Weight566.71 g/mol
Exact Mass566.28
IUPAC Name2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
SMILESOCCOC1CCC(Oc2ccc(C3c4ccc(OCc5ccccc5)cc4CCC3c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C37H39FO4/c38-30-11-6-27(7-12-30)35-20-10-29-24-34(41-25-26-4-2-1-3-5-26)19-21-36(29)37(35)28-8-13-32(14-9-28)42-33-17-15-31(16-18-33)40-23-22-39/h1-9,11-14,19,21,24,31,33,35,37,39H,10,15-18,20,22-23,25H2
InChIKeyHWILIGUKEKRANN-UHFFFAOYSA-N
XLogP7.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol with MolForge

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Related Compounds

5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 134580043
5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
2-[3-[4-[(1R,2R)-2-cyclohexa-2,4-dien-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclobutyl]oxyethanol
CID 163975376
fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
CID 142368158
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686
[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
CID 134579644
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
CID 142367448
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698
[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142367521
tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
methyl 4-oxo-5-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentanoate
CID 134579575

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol (CID 134580068) is 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol is OCCOC1CCC(Oc2ccc(C3c4ccc(OCc5ccccc5)cc4CCC3c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol?
The InChIKey is HWILIGUKEKRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FO4/c38-30-11-6-27(7-12-30)35-20-10-29-24-34(41-25-26-4-2-1-3-5-26)19-21-36(29)37(35)28-8-13-32(14-9-28)42-33-17-15-31(16-18-33)40-23-22-39/h1-9,11-14,19,21,24,31,33,35,37,39H,10,15-18,20,22-23,25H2.
What are the key properties of 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol?
2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol has a molecular weight of 566.71 g/mol, XLogP of 7.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol is sourced from PubChem (CID 134580068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).