(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane

C19H21NO4Si — CID 122363285

IUPAC(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane
SMILESCOC1(c2ccccc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C
InChIInChI=1S/C19H21NO4Si/c1-23-19(15-8-6-5-7-9-15)18(25(2,3)4)13-14-12-16(20(21)22)10-11-17(14)24-19/h5-13H,1-4H3
InChIKeyZJRVAEBKBVGQMB-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.75
Rot. Bonds4

About (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane

(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane (PubChem CID 122363285) has the molecular formula C19H21NO4Si and a molecular weight of 355.47 g/mol. Its IUPAC name is (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane
PubChem CID122363285
Molecular FormulaC19H21NO4Si
Molecular Weight355.47 g/mol
Exact Mass355.12
IUPAC Name(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane
SMILESCOC1(c2ccccc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C
InChIInChI=1S/C19H21NO4Si/c1-23-19(15-8-6-5-7-9-15)18(25(2,3)4)13-14-12-16(20(21)22)10-11-17(14)24-19/h5-13H,1-4H3
InChIKeyZJRVAEBKBVGQMB-UHFFFAOYSA-N
XLogP4.75
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane
CID 132942354
2-methoxy-6-nitro-2-phenyl-3-(2-phenylethynyl)chromene
CID 132540019
2,2-bis(methoxymethyl)-6-nitrochromen-3-ol
CID 142629975
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
3,3',5-trimethyl-6'-nitrospiro[1,3-benzoxazole-2,2'-chromene]
CID 19084243
2,2,3,3-tetrafluoro-6-nitro-1,4-benzodioxine
CID 13255697
(4-phenylpiperidin-4-yl) 2-methyl-5-nitrobenzoate
CID 167315632
N-methyl-4-nitro-N-phenylaniline
CID 11287619
3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 141087850
6-nitro-2H-chromene-3-carbaldehyde
CID 16769718
2-methoxycarbonyl-5-nitrobenzoic acid
CID 13221841

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane?
The IUPAC name of (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane (CID 122363285) is (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane.
What is the SMILES notation for (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane?
The canonical SMILES for (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane is COC1(c2ccccc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C.
What is the InChIKey of (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane?
The InChIKey is ZJRVAEBKBVGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4Si/c1-23-19(15-8-6-5-7-9-15)18(25(2,3)4)13-14-12-16(20(21)22)10-11-17(14)24-19/h5-13H,1-4H3.
What are the key properties of (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane?
(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane has a molecular weight of 355.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane is sourced from PubChem (CID 122363285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).