6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol

C8H13NO2 — CID 167083152

IUPAC6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
SMILESOCCNC1C=CC=CC1O
InChIInChI=1S/C8H13NO2/c10-6-5-9-7-3-1-2-4-8(7)11/h1-4,7-11H,5-6H2
InChIKeyZNSHMHXSGLVUTP-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.58
Rot. Bonds3

About 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol

6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 167083152) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
PubChem CID167083152
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
SMILESOCCNC1C=CC=CC1O
InChIInChI=1S/C8H13NO2/c10-6-5-9-7-3-1-2-4-8(7)11/h1-4,7-11H,5-6H2
InChIKeyZNSHMHXSGLVUTP-UHFFFAOYSA-N
XLogP-0.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol (CID 167083152) is 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol is OCCNC1C=CC=CC1O.
What is the InChIKey of 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is ZNSHMHXSGLVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-5-9-7-3-1-2-4-8(7)11/h1-4,7-11H,5-6H2.
What are the key properties of 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 167083152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).