(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene

C16H15NO4 — CID 129439266

IUPAC(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@@H]2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-9,14,16H,10H2,1H3/t14-,16+/m0/s1
InChIKeyLGGXIMSJUQRDQF-GOEBONIOSA-N
MW285.30 g/mol
LogP3.02
Rot. Bonds3

About (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene

(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene (PubChem CID 129439266) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene
PubChem CID129439266
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@@H]2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-9,14,16H,10H2,1H3/t14-,16+/m0/s1
InChIKeyLGGXIMSJUQRDQF-GOEBONIOSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10756490
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
(4R)-2-methyl-4-[(2R)-3-nitro-3,4-dihydro-2H-chromen-2-yl]pentan-3-one
CID 24754727
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 36671807
3-(4-methoxyphenyl)-2,4-dinitrocyclohexan-1-ol
CID 86240008
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35674467
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
2-(4-methoxyphenyl)-4-[4-(2-nitrophenyl)phenyl]-4-oxido-3,5-dihydro-2H-1,4-benzoxazepin-4-ium
CID 118687060
(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 168762983
2-[5-(4-methoxyphenyl)-4-nitro-4,5-dihydro-1,2-oxazol-3-yl]-1,3-benzoxazole
CID 23267425

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene (CID 129439266) is (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene is COc1ccc([C@H]2Oc3ccccc3C[C@@H]2[N+](=O)[O-])cc1.
What is the InChIKey of (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene?
The InChIKey is LGGXIMSJUQRDQF-GOEBONIOSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-9,14,16H,10H2,1H3/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene?
(2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene has a molecular weight of 285.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-methoxyphenyl)-3-nitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 129439266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).