1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol

C15H12Cl2N2O3 — CID 133442202

IUPAC1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol
SMILESO=[N+]([O-])c1cc(Cl)c(NC2c3ccccc3CC2O)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-9(19(21)22)7-12(17)15(11)18-14-10-4-2-1-3-8(10)5-13(14)20/h1-4,6-7,13-14,18,20H,5H2
InChIKeyRORJTGWVCFHMIK-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.97
Rot. Bonds3

About 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol

1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 133442202) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol
PubChem CID133442202
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol
SMILESO=[N+]([O-])c1cc(Cl)c(NC2c3ccccc3CC2O)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-9(19(21)22)7-12(17)15(11)18-14-10-4-2-1-3-8(10)5-13(14)20/h1-4,6-7,13-14,18,20H,5H2
InChIKeyRORJTGWVCFHMIK-UHFFFAOYSA-N
XLogP3.97
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 110903627
(1S,2R)-1-(4,5-dimethoxy-2-nitroanilino)-2,3-dihydro-1H-inden-2-ol
CID 133448075
(1R,2S)-1-[(5-chloro-2-nitrophenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111440129
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-5-nitrobenzamide
CID 111696318
2-(2,6-dichloro-4-nitroanilino)cycloheptan-1-ol
CID 106891661
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2-chloro-4-nitrophenyl)methyl]methanamine
CID 66396958
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535
(1S,2R)-1-(3-ethoxy-2-nitroanilino)-2,3-dihydro-1H-inden-2-ol
CID 133469858
2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 75518781
1-N-(2,6-dichloro-4-nitrophenyl)cyclobutane-1,3-diamine
CID 106891740
3,5-difluoro-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]benzonitrile
CID 133447944
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol (CID 133442202) is 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol is O=[N+]([O-])c1cc(Cl)c(NC2c3ccccc3CC2O)c(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is RORJTGWVCFHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-6-9(19(21)22)7-12(17)15(11)18-14-10-4-2-1-3-8(10)5-13(14)20/h1-4,6-7,13-14,18,20H,5H2.
What are the key properties of 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol?
1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 339.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-nitroanilino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133442202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).