(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone

C18H13NO4 — CID 1205546

IUPAC(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H13NO4/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(9-7-12)19(21)22/h2-11H,1H3
InChIKeyJBOUDUATEHZGBQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.99
Rot. Bonds4

About (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone

(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone (PubChem CID 1205546) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone
PubChem CID1205546
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H13NO4/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(9-7-12)19(21)22/h2-11H,1H3
InChIKeyJBOUDUATEHZGBQ-UHFFFAOYSA-N
XLogP3.99
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone (CID 1205546) is (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone is COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone?
The InChIKey is JBOUDUATEHZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-23-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(9-7-12)19(21)22/h2-11H,1H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone?
(4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone has a molecular weight of 307.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 1205546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).