(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone

C17H17NO7 — CID 11100097

IUPAC(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17NO7/c1-22-11-5-6-12(13(9-11)18(20)21)16(19)10-7-14(23-2)17(25-4)15(8-10)24-3/h5-9H,1-4H3
InChIKeySVUJFDLGYLMLNO-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.86
Rot. Bonds7

About (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone

(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11100097) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11100097
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17NO7/c1-22-11-5-6-12(13(9-11)18(20)21)16(19)10-7-14(23-2)17(25-4)15(8-10)24-3/h5-9H,1-4H3
InChIKeySVUJFDLGYLMLNO-UHFFFAOYSA-N
XLogP2.86
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 25064957
(3,4-dimethoxy-5-nitrophenyl)-(3-fluoro-5-methoxyphenyl)methanone
CID 172740515
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-amino-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone;(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone
CID 159731830
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 18084445
(2-nitrophenyl) 3,4,5-trimethoxybenzoate
CID 905326
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(3-amino-4,5-dimethoxyphenyl)-phenylmethanone;(3,4-dimethoxy-5-nitrophenyl)-phenylmethanone
CID 159399191
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11100097) is (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1.
What is the InChIKey of (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SVUJFDLGYLMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO7/c1-22-11-5-6-12(13(9-11)18(20)21)16(19)10-7-14(23-2)17(25-4)15(8-10)24-3/h5-9H,1-4H3.
What are the key properties of (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone?
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 347.32 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11100097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).