4-amino-2H-chromen-3-ol

C9H9NO2 — CID 70047832

IUPAC4-amino-2H-chromen-3-ol
SMILESNC1=C(O)COc2ccccc21
InChIInChI=1S/C9H9NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,11H,5,10H2
InChIKeyRCAHAKDCFSPVIT-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.26
Rot. Bonds

About 4-amino-2H-chromen-3-ol

4-amino-2H-chromen-3-ol (PubChem CID 70047832) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-amino-2H-chromen-3-ol.

Molecular Properties

Compound Name4-amino-2H-chromen-3-ol
PubChem CID70047832
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-amino-2H-chromen-3-ol
SMILESNC1=C(O)COc2ccccc21
InChIInChI=1S/C9H9NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,11H,5,10H2
InChIKeyRCAHAKDCFSPVIT-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2H-chromen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2H-chromen-3-ol?
The IUPAC name of 4-amino-2H-chromen-3-ol (CID 70047832) is 4-amino-2H-chromen-3-ol.
What is the SMILES notation for 4-amino-2H-chromen-3-ol?
The canonical SMILES for 4-amino-2H-chromen-3-ol is NC1=C(O)COc2ccccc21.
What is the InChIKey of 4-amino-2H-chromen-3-ol?
The InChIKey is RCAHAKDCFSPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,11H,5,10H2.
What are the key properties of 4-amino-2H-chromen-3-ol?
4-amino-2H-chromen-3-ol has a molecular weight of 163.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2H-chromen-3-ol is sourced from PubChem (CID 70047832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).