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

C36H38O2 — CID 11420692

IUPAC3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(C)cc(-c2cc3c(c(-c4c(O)c(-c5cc(C)cc(C)c5)cc5c4CCCC5)c2O)CCCC3)c1
InChIInChI=1S/C36H38O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h13-20,37-38H,5-12H2,1-4H3
InChIKeyRSHMDLJRFPHHRE-UHFFFAOYSA-N
MW502.70 g/mol
LogP9.09
Rot. Bonds3

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

3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 11420692) has the molecular formula C36H38O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID11420692
Molecular FormulaC36H38O2
Molecular Weight502.70 g/mol
Exact Mass502.29
IUPAC Name3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(C)cc(-c2cc3c(c(-c4c(O)c(-c5cc(C)cc(C)c5)cc5c4CCCC5)c2O)CCCC3)c1
InChIInChI=1S/C36H38O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h13-20,37-38H,5-12H2,1-4H3
InChIKeyRSHMDLJRFPHHRE-UHFFFAOYSA-N
XLogP9.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 11420692) is 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc(C)cc(-c2cc3c(c(-c4c(O)c(-c5cc(C)cc(C)c5)cc5c4CCCC5)c2O)CCCC3)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RSHMDLJRFPHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h13-20,37-38H,5-12H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 502.70 g/mol, XLogP of 9.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11420692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).