1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene

C9H10ClNO5 — CID 72707809

IUPAC1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene
SMILESCOCOc1cc(Cl)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H10ClNO5/c1-14-5-16-6-3-7(10)9(11(12)13)8(4-6)15-2/h3-4H,5H2,1-2H3
InChIKeyHYBIVRSYFYGROH-UHFFFAOYSA-N
MW247.63 g/mol
LogP2.24
Rot. Bonds5

About 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene

1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene (PubChem CID 72707809) has the molecular formula C9H10ClNO5 and a molecular weight of 247.63 g/mol. Its IUPAC name is 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene.

Molecular Properties

Compound Name1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene
PubChem CID72707809
Molecular FormulaC9H10ClNO5
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene
SMILESCOCOc1cc(Cl)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C9H10ClNO5/c1-14-5-16-6-3-7(10)9(11(12)13)8(4-6)15-2/h3-4H,5H2,1-2H3
InChIKeyHYBIVRSYFYGROH-UHFFFAOYSA-N
XLogP2.24
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,3,5-trimethoxy-2-nitrobenzene
CID 518903
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
5-[(3,5-dimethyl-4-nitrophenoxy)methoxy]-1,3-dimethyl-2-nitrobenzene
CID 59045966
3,5-dimethoxy-2-nitrophenol
CID 10965507
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
5-chloro-1-(chloromethyl)-3-methoxy-2-nitrobenzene
CID 171002216
1,5-dichloro-2-methoxy-3,4-dinitrobenzene
CID 154201735
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
6-chloro-N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-nitropyrimidin-4-amine
CID 10784663
4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
CID 58278133
2-methoxy-1,4-bis(methoxymethoxy)-3-methyl-5-nitrobenzene
CID 14137884

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene?
The IUPAC name of 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene (CID 72707809) is 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene.
What is the SMILES notation for 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene?
The canonical SMILES for 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene is COCOc1cc(Cl)c([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene?
The InChIKey is HYBIVRSYFYGROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO5/c1-14-5-16-6-3-7(10)9(11(12)13)8(4-6)15-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene?
1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene has a molecular weight of 247.63 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxy-5-(methoxymethoxy)-2-nitrobenzene is sourced from PubChem (CID 72707809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).