2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline

C25H33NO3 — CID 174825203

IUPAC2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline
SMILESCC(C)(C)c1cc(O)ccc1O.CCOc1ccc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C15H19NO.C10H14O2/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14;1-10(2,3)8-6-7(11)4-5-9(8)12/h6-10H,5H2,1-4H3;4-6,11-12H,1-3H3
InChIKeySGEXDZPGOXWDPO-UHFFFAOYSA-N
MW395.54 g/mol
LogP6.33
Rot. Bonds2

About 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline

2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline (PubChem CID 174825203) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline.

Molecular Properties

Compound Name2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline
PubChem CID174825203
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline
SMILESCC(C)(C)c1cc(O)ccc1O.CCOc1ccc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C15H19NO.C10H14O2/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14;1-10(2,3)8-6-7(11)4-5-9(8)12/h6-10H,5H2,1-4H3;4-6,11-12H,1-3H3
InChIKeySGEXDZPGOXWDPO-UHFFFAOYSA-N
XLogP6.33
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-ethoxyquinoline
CID 174825204
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
2-tert-butylbenzene-1,4-diol;ethyl acetate
CID 160880544
ethane;2-ethoxy-4-methylquinoline
CID 142037221
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
CID 146488321
3-tert-butyl-4-[(8-tert-butylnaphthalen-2-yl)amino]phenol
CID 167069005
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
9,10-diethoxyanthracen-2-ol
CID 139656119
4-tert-butyl-2-(methoxymethyl)quinoline
CID 165372227
N-(6-ethoxy-2-pyridinyl)-2-(3-hydroxyphenyl)acetamide
CID 71865850
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxyphenyl)propyl]phenol;4-[(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
CID 158398469

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline?
The IUPAC name of 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline (CID 174825203) is 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline.
What is the SMILES notation for 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline?
The canonical SMILES for 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline is CC(C)(C)c1cc(O)ccc1O.CCOc1ccc2c(C(C)(C)C)cccc2n1.
What is the InChIKey of 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline?
The InChIKey is SGEXDZPGOXWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C10H14O2/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14;1-10(2,3)8-6-7(11)4-5-9(8)12/h6-10H,5H2,1-4H3;4-6,11-12H,1-3H3.
What are the key properties of 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline?
2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline has a molecular weight of 395.54 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline is sourced from PubChem (CID 174825203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).