6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol

C14H16N2O2 — CID 54156977

IUPAC6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol
SMILESCCc1c(-c2ccc(N)c(O)c2)ccc(N)c1O
InChIInChI=1S/C14H16N2O2/c1-2-9-10(4-6-12(16)14(9)18)8-3-5-11(15)13(17)7-8/h3-7,17-18H,2,15-16H2,1H3
InChIKeyOLTOICODCKTRQB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds2

About 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol

6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol (PubChem CID 54156977) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol.

Molecular Properties

Compound Name6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol
PubChem CID54156977
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol
SMILESCCc1c(-c2ccc(N)c(O)c2)ccc(N)c1O
InChIInChI=1S/C14H16N2O2/c1-2-9-10(4-6-12(16)14(9)18)8-3-5-11(15)13(17)7-8/h3-7,17-18H,2,15-16H2,1H3
InChIKeyOLTOICODCKTRQB-UHFFFAOYSA-N
XLogP2.49
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol?
The IUPAC name of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol (CID 54156977) is 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol.
What is the SMILES notation for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol?
The canonical SMILES for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol is CCc1c(-c2ccc(N)c(O)c2)ccc(N)c1O.
What is the InChIKey of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol?
The InChIKey is OLTOICODCKTRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-9-10(4-6-12(16)14(9)18)8-3-5-11(15)13(17)7-8/h3-7,17-18H,2,15-16H2,1H3.
What are the key properties of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol?
6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol has a molecular weight of 244.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-ethylphenol is sourced from PubChem (CID 54156977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).