5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole

C14H21NO2 — CID 70672105

IUPAC5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
SMILESCCOc1ccc2c(c1)C(C)(C)N(O)C2(C)C
InChIInChI=1S/C14H21NO2/c1-6-17-10-7-8-11-12(9-10)14(4,5)15(16)13(11,2)3/h7-9,16H,6H2,1-5H3
InChIKeyFMCHUSDGTHHIFQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.26
Rot. Bonds2

About 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole

5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole (PubChem CID 70672105) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole.

Molecular Properties

Compound Name5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
PubChem CID70672105
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
SMILESCCOc1ccc2c(c1)C(C)(C)N(O)C2(C)C
InChIInChI=1S/C14H21NO2/c1-6-17-10-7-8-11-12(9-10)14(4,5)15(16)13(11,2)3/h7-9,16H,6H2,1-5H3
InChIKeyFMCHUSDGTHHIFQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79837369
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
CID 21328336
2,6-diethoxyanthracene
CID 12651989
6-ethoxy-1-ethyl-2,2,4-trimethylquinoline
CID 86152390
6-ethoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline
CID 14387762
[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate
CID 59431462
4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488651
2-ethoxynaphthalene
CID 118978197
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
7-ethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885777
4-ethoxy-2-methoxyphenol
CID 54107015

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole?
The IUPAC name of 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole (CID 70672105) is 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole.
What is the SMILES notation for 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole?
The canonical SMILES for 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole is CCOc1ccc2c(c1)C(C)(C)N(O)C2(C)C.
What is the InChIKey of 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole?
The InChIKey is FMCHUSDGTHHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-17-10-7-8-11-12(9-10)14(4,5)15(16)13(11,2)3/h7-9,16H,6H2,1-5H3.
What are the key properties of 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole?
5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole has a molecular weight of 235.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole is sourced from PubChem (CID 70672105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).