4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol

C9H13NO2 — CID 10845923

IUPAC4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
SMILES[3H][C@H](N)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/i5T/t5-/m0/s1
InChIKeyDIVQKHQLANKJQO-RJGPZHSVSA-N
MW169.22 g/mol
LogP0.90
Rot. Bonds3

About 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol

4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol (PubChem CID 10845923) has the molecular formula C9H13NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
PubChem CID10845923
Molecular FormulaC9H13NO2
Molecular Weight169.22 g/mol
Exact Mass169.10
IUPAC Name4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
SMILES[3H][C@H](N)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/i5T/t5-/m0/s1
InChIKeyDIVQKHQLANKJQO-RJGPZHSVSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
CID 175936648
CID 175936648

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol?
The IUPAC name of 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol (CID 10845923) is 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol is [3H][C@H](N)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol?
The InChIKey is DIVQKHQLANKJQO-RJGPZHSVSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/i5T/t5-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol?
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol has a molecular weight of 169.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol is sourced from PubChem (CID 10845923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).