4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol

C36H42O4 — CID 153304760

IUPAC4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol
SMILESCOc1ccccc1-c1cc(C(C)(C)C)cc(CCc2cc(C(C)(C)C)cc(-c3ccccc3OC)c2O)c1O
InChIInChI=1S/C36H42O4/c1-35(2,3)25-19-23(33(37)29(21-25)27-13-9-11-15-31(27)39-7)17-18-24-20-26(36(4,5)6)22-30(34(24)38)28-14-10-12-16-32(28)40-8/h9-16,19-22,37-38H,17-18H2,1-8H3
InChIKeyXJNGHOHJOANLBX-UHFFFAOYSA-N
MW538.73 g/mol
LogP8.83
Rot. Bonds7

About 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol

4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol (PubChem CID 153304760) has the molecular formula C36H42O4 and a molecular weight of 538.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol
PubChem CID153304760
Molecular FormulaC36H42O4
Molecular Weight538.73 g/mol
Exact Mass538.31
IUPAC Name4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol
SMILESCOc1ccccc1-c1cc(C(C)(C)C)cc(CCc2cc(C(C)(C)C)cc(-c3ccccc3OC)c2O)c1O
InChIInChI=1S/C36H42O4/c1-35(2,3)25-19-23(33(37)29(21-25)27-13-9-11-15-31(27)39-7)17-18-24-20-26(36(4,5)6)22-30(34(24)38)28-14-10-12-16-32(28)40-8/h9-16,19-22,37-38H,17-18H2,1-8H3
InChIKeyXJNGHOHJOANLBX-UHFFFAOYSA-N
XLogP8.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)propanal
CID 117345291
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one
CID 44624010
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 15501148
2-[2-(2-methoxyphenyl)-4-(trifluoromethyl)phenyl]acetonitrile
CID 172650232
4-[2-(2-amino-3-methoxyphenyl)ethyl]-2,6-ditert-butylphenol
CID 19960491
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol
CID 59411949
2,5-dichloro-4-(2-methoxyphenyl)phenol
CID 107663290
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
4-tert-butyl-2-(cyclooctylsulfanylmethyl)-6-(2-methylphenyl)phenol
CID 71261043

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol?
The IUPAC name of 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol (CID 153304760) is 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol?
The canonical SMILES for 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol is COc1ccccc1-c1cc(C(C)(C)C)cc(CCc2cc(C(C)(C)C)cc(-c3ccccc3OC)c2O)c1O.
What is the InChIKey of 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol?
The InChIKey is XJNGHOHJOANLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O4/c1-35(2,3)25-19-23(33(37)29(21-25)27-13-9-11-15-31(27)39-7)17-18-24-20-26(36(4,5)6)22-30(34(24)38)28-14-10-12-16-32(28)40-8/h9-16,19-22,37-38H,17-18H2,1-8H3.
What are the key properties of 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol?
4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol has a molecular weight of 538.73 g/mol, XLogP of 8.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[5-tert-butyl-2-hydroxy-3-(2-methoxyphenyl)phenyl]ethyl]-6-(2-methoxyphenyl)phenol is sourced from PubChem (CID 153304760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).