2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol

C14H13NO8 — CID 166787691

IUPAC2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
SMILESCOc1c(O)c(OC)c(O)c(Oc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C14H13NO8/c1-21-12-9(16)13(22-2)11(18)14(10(12)17)23-8-5-3-7(4-6-8)15(19)20/h3-6,16-18H,1-2H3
InChIKeyRSNAHQIQFXFHBC-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.52
Rot. Bonds5

About 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol

2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol (PubChem CID 166787691) has the molecular formula C14H13NO8 and a molecular weight of 323.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
PubChem CID166787691
Molecular FormulaC14H13NO8
Molecular Weight323.26 g/mol
Exact Mass323.06
IUPAC Name2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
SMILESCOc1c(O)c(OC)c(O)c(Oc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C14H13NO8/c1-21-12-9(16)13(22-2)11(18)14(10(12)17)23-8-5-3-7(4-6-8)15(19)20/h3-6,16-18H,1-2H3
InChIKeyRSNAHQIQFXFHBC-UHFFFAOYSA-N
XLogP2.52
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

3,6-dimethoxy-1-N,2-N,4-N-trimethyl-5-(4-nitrophenoxy)benzene-1,2,4-triamine
CID 174278875
3,5-dibromo-4-(4-nitrophenoxy)phenol
CID 18448751
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
1,3-dichloro-4-methyl-2-(4-nitrophenoxy)benzene
CID 91550976

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol?
The IUPAC name of 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol (CID 166787691) is 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol.
What is the SMILES notation for 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol?
The canonical SMILES for 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol is COc1c(O)c(OC)c(O)c(Oc2ccc([N+](=O)[O-])cc2)c1O.
What is the InChIKey of 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol?
The InChIKey is RSNAHQIQFXFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO8/c1-21-12-9(16)13(22-2)11(18)14(10(12)17)23-8-5-3-7(4-6-8)15(19)20/h3-6,16-18H,1-2H3.
What are the key properties of 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol?
2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol has a molecular weight of 323.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol is sourced from PubChem (CID 166787691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).