3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol

C24H34O3 — CID 141260432

IUPAC3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2c(O)cc(OCC)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H34O3/c1-9-26-16-11-12-18(19(13-16)23(3,4)5)22-20(24(6,7)8)14-17(27-10-2)15-21(22)25/h11-15,25H,9-10H2,1-8H3
InChIKeyFWXJGTCXURJYCF-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.45
Rot. Bonds5

About 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol

3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol (PubChem CID 141260432) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol.

Molecular Properties

Compound Name3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol
PubChem CID141260432
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2c(O)cc(OCC)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H34O3/c1-9-26-16-11-12-18(19(13-16)23(3,4)5)22-20(24(6,7)8)14-17(27-10-2)15-21(22)25/h11-15,25H,9-10H2,1-8H3
InChIKeyFWXJGTCXURJYCF-UHFFFAOYSA-N
XLogP6.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
3-tert-butyl-2-(2-tert-butyl-4-heptan-3-ylphenyl)-5-heptan-3-ylphenol
CID 141260407
2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
CID 135597459
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
CID 135597465
2-tert-butyl-4-methoxyphenol;6-ethoxy-2,2,4-trimethyl-1H-quinoline
CID 174821422
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol?
The IUPAC name of 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol (CID 141260432) is 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol.
What is the SMILES notation for 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol?
The canonical SMILES for 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol is CCOc1ccc(-c2c(O)cc(OCC)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol?
The InChIKey is FWXJGTCXURJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-9-26-16-11-12-18(19(13-16)23(3,4)5)22-20(24(6,7)8)14-17(27-10-2)15-21(22)25/h11-15,25H,9-10H2,1-8H3.
What are the key properties of 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol?
3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol has a molecular weight of 370.53 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol is sourced from PubChem (CID 141260432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).