3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C42H42O4 — CID 11342498

IUPAC3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(C(C)(C)C)ccc3OC)cc3ccccc23)c1O
InChIInChI=1S/C42H42O4/c1-41(2,3)27-17-19-35(45-7)31(23-27)33-21-25-13-9-11-15-29(25)37(39(33)43)38-30-16-12-10-14-26(30)22-34(40(38)44)32-24-28(42(4,5)6)18-20-36(32)46-8/h9-24,43-44H,1-8H3
InChIKeyCUWWEAGPSZZOFM-UHFFFAOYSA-N
MW610.79 g/mol
LogP11.02
Rot. Bonds5

About 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 11342498) has the molecular formula C42H42O4 and a molecular weight of 610.79 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID11342498
Molecular FormulaC42H42O4
Molecular Weight610.79 g/mol
Exact Mass610.31
IUPAC Name3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(C(C)(C)C)ccc3OC)cc3ccccc23)c1O
InChIInChI=1S/C42H42O4/c1-41(2,3)27-17-19-35(45-7)31(23-27)33-21-25-13-9-11-15-29(25)37(39(33)43)38-30-16-12-10-14-26(30)22-34(40(38)44)32-24-28(42(4,5)6)18-20-36(32)46-8/h9-24,43-44H,1-8H3
InChIKeyCUWWEAGPSZZOFM-UHFFFAOYSA-N
XLogP11.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.79
LogP ≤ 511.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-tert-butyl-2-hydroxyphenyl)-1-[3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 71141865
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136810654
3-(4-tert-butyl-2-hydroxyphenyl)-1-[3-(4-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-4-methoxyphenyl)naphthalen-1-yl]-3-(2-hydroxy-4-methoxyphenyl)naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-4-methylphenyl)naphthalen-1-yl]-3-(2-hydroxy-4-methylphenyl)naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol
CID 162261539
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
ethane;2-[4-methoxy-3-(3-methylnaphthalen-2-yl)phenyl]-2-methylpropan-1-ol
CID 143505558
1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
CID 158265528
4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol
CID 153304760
3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
CID 134955568
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
10-[(4-tert-butylphenyl)methyl]-2,3-dimethoxyphenanthrene
CID 56931273
3-(4,5-difluoro-2-hexoxyphenyl)-1-[3-(4,5-difluoro-2-hexoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 10887045

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 11342498) is 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is COc1ccc(C(C)(C)C)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(C(C)(C)C)ccc3OC)cc3ccccc23)c1O.
What is the InChIKey of 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is CUWWEAGPSZZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42O4/c1-41(2,3)27-17-19-35(45-7)31(23-27)33-21-25-13-9-11-15-29(25)37(39(33)43)38-30-16-12-10-14-26(30)22-34(40(38)44)32-24-28(42(4,5)6)18-20-36(32)46-8/h9-24,43-44H,1-8H3.
What are the key properties of 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 610.79 g/mol, XLogP of 11.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 11342498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).