4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol

C10H12ClNO2 — CID 117304611

IUPAC4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESONCc1cc2c(c(Cl)c1O)CCC2
InChIInChI=1S/C10H12ClNO2/c11-9-8-3-1-2-6(8)4-7(5-12-14)10(9)13/h4,12-14H,1-3,5H2
InChIKeyMMFGNUILLZQAND-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol

4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 117304611) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID117304611
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESONCc1cc2c(c(Cl)c1O)CCC2
InChIInChI=1S/C10H12ClNO2/c11-9-8-3-1-2-6(8)4-7(5-12-14)10(9)13/h4,12-14H,1-3,5H2
InChIKeyMMFGNUILLZQAND-UHFFFAOYSA-N
XLogP2.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol (CID 117304611) is 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol is ONCc1cc2c(c(Cl)c1O)CCC2.
What is the InChIKey of 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MMFGNUILLZQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-8-3-1-2-6(8)4-7(5-12-14)10(9)13/h4,12-14H,1-3,5H2.
What are the key properties of 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 213.66 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117304611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).