7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one

C23H17NO5 — CID 9353691

IUPAC7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one
SMILESC[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H17NO5/c1-15(17-8-5-9-18(12-17)24(26)27)29-19-10-11-20-22(13-19)28-14-21(23(20)25)16-6-3-2-4-7-16/h2-15H,1H3/t15-/m0/s1
InChIKeyBILXIUFNLHAEST-HNNXBMFYSA-N
MW387.39 g/mol
LogP5.51
Rot. Bonds5

About 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one

7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one (PubChem CID 9353691) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one
PubChem CID9353691
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one
SMILESC[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H17NO5/c1-15(17-8-5-9-18(12-17)24(26)27)29-19-10-11-20-22(13-19)28-14-21(23(20)25)16-6-3-2-4-7-16/h2-15H,1H3/t15-/m0/s1
InChIKeyBILXIUFNLHAEST-HNNXBMFYSA-N
XLogP5.51
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.51
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

7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
(4-oxo-3-phenylchromen-7-yl) 3-methyl-2-nitrobenzoate
CID 8912910
7-hydroxy-3-(3-nitrophenyl)chromen-4-one
CID 149499199
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
7-[(3-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
CID 134045192
(4-oxo-3-phenylchromen-7-yl) 4-methyl-3-nitrobenzenesulfonate
CID 55509201
methyl 2-(4-oxo-3-phenylchromen-7-yl)oxybutanoate
CID 23987620
7-[(2-methoxyphenyl)methoxy]-3-(4-nitrophenyl)chromen-4-one
CID 2196952
[3-(4-nitrophenyl)-4-oxochromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 6997446
(2R)-N-(2-cyanophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 7641958
5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene
CID 9354137

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one (CID 9353691) is 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one is C[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one?
The InChIKey is BILXIUFNLHAEST-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H17NO5/c1-15(17-8-5-9-18(12-17)24(26)27)29-19-10-11-20-22(13-19)28-14-21(23(20)25)16-6-3-2-4-7-16/h2-15H,1H3/t15-/m0/s1.
What are the key properties of 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one?
7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one has a molecular weight of 387.39 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 9353691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).