1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol

C29H32O4 — CID 15214364

IUPAC1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol
SMILESCCOCCOCc1cc2ccccc2c(-c2c(O)ccc3cc(C(C)(C)C)ccc23)c1O
InChIInChI=1S/C29H32O4/c1-5-32-14-15-33-18-21-16-19-8-6-7-9-23(19)27(28(21)31)26-24-12-11-22(29(2,3)4)17-20(24)10-13-25(26)30/h6-13,16-17,30-31H,5,14-15,18H2,1-4H3
InChIKeyWLAYZYMOQJDBRY-UHFFFAOYSA-N
MW444.57 g/mol
LogP6.92
Rot. Bonds7

About 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol

1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol (PubChem CID 15214364) has the molecular formula C29H32O4 and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol
PubChem CID15214364
Molecular FormulaC29H32O4
Molecular Weight444.57 g/mol
Exact Mass444.23
IUPAC Name1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol
SMILESCCOCCOCc1cc2ccccc2c(-c2c(O)ccc3cc(C(C)(C)C)ccc23)c1O
InChIInChI=1S/C29H32O4/c1-5-32-14-15-33-18-21-16-19-8-6-7-9-23(19)27(28(21)31)26-24-12-11-22(29(2,3)4)17-20(24)10-13-25(26)30/h6-13,16-17,30-31H,5,14-15,18H2,1-4H3
InChIKeyWLAYZYMOQJDBRY-UHFFFAOYSA-N
XLogP6.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methoxymethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10985666
3-(5-tert-butyl-2-hydroxyphenyl)-1-[3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 71141865
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
3-[[ethyl-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methyl]amino]methyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101274388
6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101427403
ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
CID 67656533
1-(2-dibutylphosphanylnaphthalen-1-yl)-3-[2-(2-hydroxyphenyl)ethoxymethyl]naphthalen-2-ol
CID 101464400
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
CID 176631810

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol?
The IUPAC name of 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol (CID 15214364) is 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol?
The canonical SMILES for 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol is CCOCCOCc1cc2ccccc2c(-c2c(O)ccc3cc(C(C)(C)C)ccc23)c1O.
What is the InChIKey of 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol?
The InChIKey is WLAYZYMOQJDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O4/c1-5-32-14-15-33-18-21-16-19-8-6-7-9-23(19)27(28(21)31)26-24-12-11-22(29(2,3)4)17-20(24)10-13-25(26)30/h6-13,16-17,30-31H,5,14-15,18H2,1-4H3.
What are the key properties of 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol?
1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol has a molecular weight of 444.57 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-hydroxynaphthalen-1-yl)-3-(2-ethoxyethoxymethyl)naphthalen-2-ol is sourced from PubChem (CID 15214364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).