(4-methoxy-3-nitrophenyl)-phenylmethanone

C14H11NO4 — CID 3600181

IUPAC(4-methoxy-3-nitrophenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPDAVXJYHYUUFEY-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.83
Rot. Bonds4

About (4-methoxy-3-nitrophenyl)-phenylmethanone

(4-methoxy-3-nitrophenyl)-phenylmethanone (PubChem CID 3600181) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (4-methoxy-3-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-methoxy-3-nitrophenyl)-phenylmethanone
PubChem CID3600181
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name(4-methoxy-3-nitrophenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPDAVXJYHYUUFEY-UHFFFAOYSA-N
XLogP2.83
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.83
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-methoxy-3-nitrophenyl)-phenylmethanone?
The IUPAC name of (4-methoxy-3-nitrophenyl)-phenylmethanone (CID 3600181) is (4-methoxy-3-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (4-methoxy-3-nitrophenyl)-phenylmethanone?
The canonical SMILES for (4-methoxy-3-nitrophenyl)-phenylmethanone is COc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of (4-methoxy-3-nitrophenyl)-phenylmethanone?
The InChIKey is PDAVXJYHYUUFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (4-methoxy-3-nitrophenyl)-phenylmethanone?
(4-methoxy-3-nitrophenyl)-phenylmethanone has a molecular weight of 257.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 3600181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).