(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene

C15H9Cl2NO3 — CID 6925452

IUPAC(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO3/c16-10-5-6-14-9(7-10)8-13(18(19)20)15(21-14)11-3-1-2-4-12(11)17/h1-8,15H/t15-/m0/s1
InChIKeyYETPTGYLRWYHIO-HNNXBMFYSA-N
MW322.15 g/mol
LogP4.74
Rot. Bonds2

About (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene

(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene (PubChem CID 6925452) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene.

Molecular Properties

Compound Name(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene
PubChem CID6925452
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO3/c16-10-5-6-14-9(7-10)8-13(18(19)20)15(21-14)11-3-1-2-4-12(11)17/h1-8,15H/t15-/m0/s1
InChIKeyYETPTGYLRWYHIO-HNNXBMFYSA-N
XLogP4.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene
CID 125495369
6-chloro-2-(4-methylsulfanylphenyl)-3-nitro-2H-chromene
CID 2732972
(2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene
CID 6925208
6-chloro-2-ethoxy-3-nitro-2H-chromene
CID 12777115
(2R)-3-nitro-2-phenyl-2H-chromene
CID 672286
(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
CID 102365605
(3S)-3-(2,6-dichlorophenyl)-2-nitro-3H-benzo[f]chromene
CID 7221489
2-(4-methylsulfanylphenyl)-3-nitro-2H-chromene
CID 2732466
(2R)-6-bromo-2-(2-nitrophenyl)-2H-chromene-3-carbaldehyde
CID 102365606
(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene
CID 705915
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929834

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene?
The IUPAC name of (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene (CID 6925452) is (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene.
What is the SMILES notation for (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene?
The canonical SMILES for (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene is O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene?
The InChIKey is YETPTGYLRWYHIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-10-5-6-14-9(7-10)8-13(18(19)20)15(21-14)11-3-1-2-4-12(11)17/h1-8,15H/t15-/m0/s1.
What are the key properties of (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene?
(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene has a molecular weight of 322.15 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene is sourced from PubChem (CID 6925452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).