(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

C18H11NO6 — CID 7348630

IUPAC(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESO=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C18H11NO6/c20-15-9-13(10-5-7-11(8-6-10)19(22)23)16-17(25-15)12-3-1-2-4-14(12)24-18(16)21/h1-8,13H,9H2/t13-/m0/s1
InChIKeyANJWTFFVFRHVBA-ZDUSSCGKSA-N
MW337.29 g/mol
LogP3.14
Rot. Bonds2

About (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (PubChem CID 7348630) has the molecular formula C18H11NO6 and a molecular weight of 337.29 g/mol. Its IUPAC name is (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
PubChem CID7348630
Molecular FormulaC18H11NO6
Molecular Weight337.29 g/mol
Exact Mass337.06
IUPAC Name(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESO=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C18H11NO6/c20-15-9-13(10-5-7-11(8-6-10)19(22)23)16-17(25-15)12-3-1-2-4-14(12)24-18(16)21/h1-8,13H,9H2/t13-/m0/s1
InChIKeyANJWTFFVFRHVBA-ZDUSSCGKSA-N
XLogP3.14
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4901306
(2S,4S)-2-ethoxy-4-(4-nitrophenyl)-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
CID 102090932
methyl (4R)-2-hydroxy-4-(4-nitrophenyl)-5-oxo-3,4-dihydropyrano[3,2-c]chromene-2-carboxylate
CID 46914997
4-(3-chloro-4-hydroxyphenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 91638083
7-(4-nitrophenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
CID 57380802
3-acetyl-2-amino-4-(4-nitrophenyl)-4H-pyrano[3,2-c]chromen-5-one
CID 101372648
(4S)-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 25286295
methane;3-(4-nitrophenyl)oxolane-2,5-dione
CID 161115198
2-[4-[(4S)-2,5-dioxo-3,4-dihydropyrano[3,2-c]chromen-4-yl]-2-methoxyphenoxy]acetic acid
CID 99996426
(4S)-2-amino-4-[5-(4-nitrophenyl)furan-2-yl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1286423
(4R)-4-(6-chloro-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99989931
(2S,7S,8S)-8-(4-nitrophenyl)-3,12-dioxa-9-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
CID 25135611

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (CID 7348630) is (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1.
What is the InChIKey of (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The InChIKey is ANJWTFFVFRHVBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H11NO6/c20-15-9-13(10-5-7-11(8-6-10)19(22)23)16-17(25-15)12-3-1-2-4-14(12)24-18(16)21/h1-8,13H,9H2/t13-/m0/s1.
What are the key properties of (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione has a molecular weight of 337.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 7348630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).