3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C44H52O2 — CID 155009148

IUPAC3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOC1=C(c2c(O)c(-c3ccc(C4CCCCC4)cc3)cc3c2CCCC3)C2=C(CCCC2)CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C44H52O2/c45-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)46)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h19-27,29-30,40,45-46H,1-18,28H2
InChIKeyADBWOQNAEIXWMY-UHFFFAOYSA-N
MW612.90 g/mol
LogP12.36
Rot. Bonds5

About 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 155009148) has the molecular formula C44H52O2 and a molecular weight of 612.90 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID155009148
Molecular FormulaC44H52O2
Molecular Weight612.90 g/mol
Exact Mass612.40
IUPAC Name3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOC1=C(c2c(O)c(-c3ccc(C4CCCCC4)cc3)cc3c2CCCC3)C2=C(CCCC2)CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C44H52O2/c45-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)46)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h19-27,29-30,40,45-46H,1-18,28H2
InChIKeyADBWOQNAEIXWMY-UHFFFAOYSA-N
XLogP12.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.90
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

1-[2-hydroxy-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 122383674
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-(4-cyclohexylphenyl)-2,3-dimethyl-9H-fluorene
CID 150811021
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane
CID 20606212
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
4-chloro-2-(4-cyclohexylphenyl)aniline
CID 81275663
4-(4-cyclohexylphenyl)-2,3-dihydro-1H-indole
CID 116698555

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 155009148) is 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is OC1=C(c2c(O)c(-c3ccc(C4CCCCC4)cc3)cc3c2CCCC3)C2=C(CCCC2)CC1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ADBWOQNAEIXWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52O2/c45-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)46)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h19-27,29-30,40,45-46H,1-18,28H2.
What are the key properties of 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 612.90 g/mol, XLogP of 12.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 155009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).