2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol

C67H60O4 — CID 176584500

IUPAC2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol
SMILESCC(C)(c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1)c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C67H60O4/c1-67(2,55-39-57(51-31-27-43-15-3-7-19-47(43)35-51)65(70-63-25-13-11-23-61(63)68)58(40-55)52-32-28-44-16-4-8-20-48(44)36-52)56-41-59(53-33-29-45-17-5-9-21-49(45)37-53)66(71-64-26-14-12-24-62(64)69)60(42-56)54-34-30-46-18-6-10-22-50(46)38-54/h3-10,15-22,27-42,61-64,68-69H,11-14,23-26H2,1-2H3
InChIKeyPVWULHMTPZSQEW-UHFFFAOYSA-N
MW929.21 g/mol
LogP16.66
Rot. Bonds10

About 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol

2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol (PubChem CID 176584500) has the molecular formula C67H60O4 and a molecular weight of 929.21 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol
PubChem CID176584500
Molecular FormulaC67H60O4
Molecular Weight929.21 g/mol
Exact Mass928.45
IUPAC Name2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol
SMILESCC(C)(c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1)c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C67H60O4/c1-67(2,55-39-57(51-31-27-43-15-3-7-19-47(43)35-51)65(70-63-25-13-11-23-61(63)68)58(40-55)52-32-28-44-16-4-8-20-48(44)36-52)56-41-59(53-33-29-45-17-5-9-21-49(45)37-53)66(71-64-26-14-12-24-62(64)69)60(42-56)54-34-30-46-18-6-10-22-50(46)38-54/h3-10,15-22,27-42,61-64,68-69H,11-14,23-26H2,1-2H3
InChIKeyPVWULHMTPZSQEW-UHFFFAOYSA-N
XLogP16.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.21
LogP ≤ 516.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol with MolForge

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Related Compounds

2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium
CID 167508103
trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
CID 93462017
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
6-[5-[2-[3,5-bis(6-cyanonaphthalen-2-yl)-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-3-(6-cyanonaphthalen-2-yl)-2-(2-hydroxyethoxy)phenyl]naphthalene-2-carbonitrile
CID 174196801
3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
CID 60885040
2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol
CID 22503435
2,8-ditert-butyl-5,11-dinaphthalen-2-ylbenzo[a]pyrene
CID 153341592
methyl 3-[4-(2-methylcyclopentyl)oxy-3-naphthalen-2-yl-5-nitrophenyl]propanoate
CID 22558933
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
CID 172549938
3-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dinaphthalen-2-ylphenyl]-1-phenylethyl]-2,6-dinaphthalen-2-ylphenoxy]-2-methylpropan-1-ol
CID 176584480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol (CID 176584500) is 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol is CC(C)(c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1)c1cc(-c2ccc3ccccc3c2)c(OC2CCCCC2O)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol?
The InChIKey is PVWULHMTPZSQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H60O4/c1-67(2,55-39-57(51-31-27-43-15-3-7-19-47(43)35-51)65(70-63-25-13-11-23-61(63)68)58(40-55)52-32-28-44-16-4-8-20-48(44)36-52)56-41-59(53-33-29-45-17-5-9-21-49(45)37-53)66(71-64-26-14-12-24-62(64)69)60(42-56)54-34-30-46-18-6-10-22-50(46)38-54/h3-10,15-22,27-42,61-64,68-69H,11-14,23-26H2,1-2H3.
What are the key properties of 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol?
2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol has a molecular weight of 929.21 g/mol, XLogP of 16.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-hydroxycyclohexyl)oxy-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2,6-dinaphthalen-2-ylphenoxy]cyclohexan-1-ol is sourced from PubChem (CID 176584500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).