2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene

C15H14ClNO3 — CID 63325775

IUPAC2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(CCl)c1
InChIInChI=1S/C15H14ClNO3/c1-11-2-7-15(13(8-11)9-16)20-10-12-3-5-14(6-4-12)17(18)19/h2-8H,9-10H2,1H3
InChIKeyRFWXPXVHODZHHR-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.22
Rot. Bonds5

About 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene

2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene (PubChem CID 63325775) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
PubChem CID63325775
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(CCl)c1
InChIInChI=1S/C15H14ClNO3/c1-11-2-7-15(13(8-11)9-16)20-10-12-3-5-14(6-4-12)17(18)19/h2-8H,9-10H2,1H3
InChIKeyRFWXPXVHODZHHR-UHFFFAOYSA-N
XLogP4.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
2-(chloromethyl)-1-[(4-chloro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 63534736
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126141319

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene (CID 63325775) is 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene is Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is RFWXPXVHODZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-11-2-7-15(13(8-11)9-16)20-10-12-3-5-14(6-4-12)17(18)19/h2-8H,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene?
2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 291.73 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 63325775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).