2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol

C24H20N4O7 — CID 118714962

IUPAC2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESC/C(CC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H20N4O7/c1-14(25-26-21-9-5-17(27(31)32)12-22(21)28(33)34)10-24-20(15-2-6-18(29)7-3-15)11-16-4-8-19(30)13-23(16)35-24/h2-9,11-13,24,26,29-30H,10H2,1H3/b25-14+
InChIKeyKEWWFZKHNLGKPN-AFUMVMLFSA-N
MW476.45 g/mol
LogP5.09
Rot. Bonds7

About 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol

2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol (PubChem CID 118714962) has the molecular formula C24H20N4O7 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
PubChem CID118714962
Molecular FormulaC24H20N4O7
Molecular Weight476.45 g/mol
Exact Mass476.13
IUPAC Name2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESC/C(CC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H20N4O7/c1-14(25-26-21-9-5-17(27(31)32)12-22(21)28(33)34)10-24-20(15-2-6-18(29)7-3-15)11-16-4-8-19(30)13-23(16)35-24/h2-9,11-13,24,26,29-30H,10H2,1H3/b25-14+
InChIKeyKEWWFZKHNLGKPN-AFUMVMLFSA-N
XLogP5.09
TPSA160.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol (CID 118714962) is 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol is C/C(CC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The InChIKey is KEWWFZKHNLGKPN-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H20N4O7/c1-14(25-26-21-9-5-17(27(31)32)12-22(21)28(33)34)10-24-20(15-2-6-18(29)7-3-15)11-16-4-8-19(30)13-23(16)35-24/h2-9,11-13,24,26,29-30H,10H2,1H3/b25-14+.
What are the key properties of 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol has a molecular weight of 476.45 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 118714962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).