1-chloro-3-nitro-2-(phenoxymethyl)benzene

C13H10ClNO3 — CID 64765077

IUPAC1-chloro-3-nitro-2-(phenoxymethyl)benzene
SMILESO=[N+]([O-])c1cccc(Cl)c1COc1ccccc1
InChIInChI=1S/C13H10ClNO3/c14-12-7-4-8-13(15(16)17)11(12)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyNUMRNBRMPBXNDE-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.83
Rot. Bonds4

About 1-chloro-3-nitro-2-(phenoxymethyl)benzene

1-chloro-3-nitro-2-(phenoxymethyl)benzene (PubChem CID 64765077) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-chloro-3-nitro-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-nitro-2-(phenoxymethyl)benzene
PubChem CID64765077
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name1-chloro-3-nitro-2-(phenoxymethyl)benzene
SMILESO=[N+]([O-])c1cccc(Cl)c1COc1ccccc1
InChIInChI=1S/C13H10ClNO3/c14-12-7-4-8-13(15(16)17)11(12)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyNUMRNBRMPBXNDE-UHFFFAOYSA-N
XLogP3.83
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 60722583
1-[4-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanamine
CID 63746767
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-3-nitrobenzene
CID 83232062
1-chloro-3-(chloromethyl)-2-[(2-chloro-6-nitrophenyl)methoxy]benzene
CID 115956582
1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79781811
3-[(2-chloro-6-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63746936
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
2-(benzenesulfonylmethyl)-1-chloro-3-nitrobenzene
CID 13256980

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-nitro-2-(phenoxymethyl)benzene?
The IUPAC name of 1-chloro-3-nitro-2-(phenoxymethyl)benzene (CID 64765077) is 1-chloro-3-nitro-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-nitro-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-chloro-3-nitro-2-(phenoxymethyl)benzene is O=[N+]([O-])c1cccc(Cl)c1COc1ccccc1.
What is the InChIKey of 1-chloro-3-nitro-2-(phenoxymethyl)benzene?
The InChIKey is NUMRNBRMPBXNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-12-7-4-8-13(15(16)17)11(12)9-18-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-chloro-3-nitro-2-(phenoxymethyl)benzene?
1-chloro-3-nitro-2-(phenoxymethyl)benzene has a molecular weight of 263.68 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-nitro-2-(phenoxymethyl)benzene is sourced from PubChem (CID 64765077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).