7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one

C16H11NO5 — CID 122537803

IUPAC7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
SMILESCc1c(O)c([N+](=O)[O-])cc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C16H11NO5/c1-9-15(19)13(17(20)21)7-12-11(8-14(18)22-16(9)12)10-5-3-2-4-6-10/h2-8,19H,1H3
InChIKeyPPYJVSOPDNYATI-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.38
Rot. Bonds2

About 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one

7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one (PubChem CID 122537803) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
PubChem CID122537803
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
SMILESCc1c(O)c([N+](=O)[O-])cc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C16H11NO5/c1-9-15(19)13(17(20)21)7-12-11(8-14(18)22-16(9)12)10-5-3-2-4-6-10/h2-8,19H,1H3
InChIKeyPPYJVSOPDNYATI-UHFFFAOYSA-N
XLogP3.38
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one?
The IUPAC name of 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one (CID 122537803) is 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one is Cc1c(O)c([N+](=O)[O-])cc2c(-c3ccccc3)cc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one?
The InChIKey is PPYJVSOPDNYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-9-15(19)13(17(20)21)7-12-11(8-14(18)22-16(9)12)10-5-3-2-4-6-10/h2-8,19H,1H3.
What are the key properties of 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one?
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one has a molecular weight of 297.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one is sourced from PubChem (CID 122537803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).