(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene

C19H19NO5 — CID 705915

IUPAC(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene
SMILESCCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H19NO5/c1-3-23-17-10-9-14(12-18(17)24-4-2)19-15(20(21)22)11-13-7-5-6-8-16(13)25-19/h5-12,19H,3-4H2,1-2H3/t19-/m1/s1
InChIKeyHGMABLHBLUHIHZ-LJQANCHMSA-N
MW341.36 g/mol
LogP4.24
Rot. Bonds6

About (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene

(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene (PubChem CID 705915) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene.

Molecular Properties

Compound Name(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene
PubChem CID705915
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene
SMILESCCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H19NO5/c1-3-23-17-10-9-14(12-18(17)24-4-2)19-15(20(21)22)11-13-7-5-6-8-16(13)25-19/h5-12,19H,3-4H2,1-2H3/t19-/m1/s1
InChIKeyHGMABLHBLUHIHZ-LJQANCHMSA-N
XLogP4.24
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2S)-2-(3-methoxy-4-phenylmethoxyphenyl)-3-nitro-2H-chromene
CID 1102751
2-(4-methylsulfanylphenyl)-3-nitro-2H-chromene
CID 2732466
6-bromo-2-(3-methoxy-4-methylphenyl)-3-nitro-2H-chromene
CID 122498802
2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
CID 23958440
(2R)-2-[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 7449385
(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene
CID 6925452
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
(2R)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 7450988
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
CID 175152816
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
1-ethoxy-2-methoxy-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene
CID 54119529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene?
The IUPAC name of (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene (CID 705915) is (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene.
What is the SMILES notation for (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene?
The canonical SMILES for (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene is CCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC.
What is the InChIKey of (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene?
The InChIKey is HGMABLHBLUHIHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-23-17-10-9-14(12-18(17)24-4-2)19-15(20(21)22)11-13-7-5-6-8-16(13)25-19/h5-12,19H,3-4H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene?
(2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene has a molecular weight of 341.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene is sourced from PubChem (CID 705915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).