1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene

C15H15NO5 — CID 7707175

IUPAC1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
SMILESCOc1cc(OC)cc(OCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3
InChIKeyCDXPEBOBAXWKLW-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds6

About 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene

1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene (PubChem CID 7707175) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
PubChem CID7707175
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
SMILESCOc1cc(OC)cc(OCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3
InChIKeyCDXPEBOBAXWKLW-UHFFFAOYSA-N
XLogP3.19
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
[4-[(3-methoxy-5-nitrophenyl)methoxy]phenyl]methanol
CID 81152309
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
(4-nitrophenyl)methyl 2,4-dimethoxy-6-[(4-nitrophenyl)methoxy]benzoate
CID 162354063
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene (CID 7707175) is 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene is COc1cc(OC)cc(OCc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is CDXPEBOBAXWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene?
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 289.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 7707175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).