3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde

C14H10ClNO4 — CID 60722583

IUPAC3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c15-13-5-2-6-14(16(18)19)12(13)9-20-11-4-1-3-10(7-11)8-17/h1-8H,9H2
InChIKeySENKBEXZEKGTHV-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.64
Rot. Bonds5

About 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde

3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde (PubChem CID 60722583) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
PubChem CID60722583
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c15-13-5-2-6-14(16(18)19)12(13)9-20-11-4-1-3-10(7-11)8-17/h1-8H,9H2
InChIKeySENKBEXZEKGTHV-UHFFFAOYSA-N
XLogP3.64
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-3-nitrobenzene
CID 83232062
1-[4-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanamine
CID 63746767
1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79781811
1-chloro-3-(chloromethyl)-2-[(2-chloro-6-nitrophenyl)methoxy]benzene
CID 115956582
3-(5-chloro-2-nitrophenoxy)benzaldehyde
CID 63944247
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde (CID 60722583) is 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is SENKBEXZEKGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-13-5-2-6-14(16(18)19)12(13)9-20-11-4-1-3-10(7-11)8-17/h1-8H,9H2.
What are the key properties of 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde?
3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 291.69 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60722583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).