[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone

C15H12N2O8 — CID 10593813

IUPAC[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone
SMILESCOCOc1cc(C(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H12N2O8/c1-24-8-25-13-7-9(6-12(15(13)19)17(22)23)14(18)10-4-2-3-5-11(10)16(20)21/h2-7,19H,8H2,1H3
InChIKeyORWGOBJTSXPIMM-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.42
Rot. Bonds7

About [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone

[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone (PubChem CID 10593813) has the molecular formula C15H12N2O8 and a molecular weight of 348.27 g/mol. Its IUPAC name is [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone
PubChem CID10593813
Molecular FormulaC15H12N2O8
Molecular Weight348.27 g/mol
Exact Mass348.06
IUPAC Name[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone
SMILESCOCOc1cc(C(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H12N2O8/c1-24-8-25-13-7-9(6-12(15(13)19)17(22)23)14(18)10-4-2-3-5-11(10)16(20)21/h2-7,19H,8H2,1H3
InChIKeyORWGOBJTSXPIMM-UHFFFAOYSA-N
XLogP2.42
TPSA142.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone
CID 10790249
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
2-(4-hydroxy-3-methoxy-5-nitrobenzoyl)benzonitrile
CID 21459123
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
(2-chlorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone;(3-nitrophenyl)-phenylmethanone
CID 159253921
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
1-(3,4-dimethoxyphenyl)-5-(2-nitrophenyl)pentane-1,3,5-trione
CID 10937566
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone?
The IUPAC name of [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone (CID 10593813) is [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone.
What is the SMILES notation for [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone?
The canonical SMILES for [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone is COCOc1cc(C(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone?
The InChIKey is ORWGOBJTSXPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O8/c1-24-8-25-13-7-9(6-12(15(13)19)17(22)23)14(18)10-4-2-3-5-11(10)16(20)21/h2-7,19H,8H2,1H3.
What are the key properties of [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone?
[4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone has a molecular weight of 348.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone is sourced from PubChem (CID 10593813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).