4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene

C14H12ClNO3 — CID 134116888

IUPAC4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyLYJVKWYSSPXVHB-UHFFFAOYSA-N
MW277.71 g/mol
LogP4.14
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene

4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene (PubChem CID 134116888) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
PubChem CID134116888
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyLYJVKWYSSPXVHB-UHFFFAOYSA-N
XLogP4.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 54.14
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

2-fluoro-5-[(3-methyl-4-nitrophenoxy)methyl]benzonitrile
CID 103758838
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040
2-methyl-1-nitro-4-(phenoxymethyl)benzene
CID 156730430
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
2-methyl-1-nitro-4-prop-2-enoxybenzene
CID 14239229
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]-1-nitrobenzene
CID 62115209

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene (CID 134116888) is 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene is Cc1cc(OCc2ccc(Cl)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The InChIKey is LYJVKWYSSPXVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-10-8-13(6-7-14(10)16(17)18)19-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene?
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene has a molecular weight of 277.71 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene is sourced from PubChem (CID 134116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).