4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde

C15H13NO4 — CID 62099520

IUPAC4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
SMILESCc1cc(C)c(Oc2ccc(C=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13NO4/c1-10-7-11(2)15(14(8-10)16(18)19)20-13-5-3-12(9-17)4-6-13/h3-9H,1-2H3
InChIKeyFFPPQCSWOBZRTP-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.82
Rot. Bonds4

About 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde

4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde (PubChem CID 62099520) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
PubChem CID62099520
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
SMILESCc1cc(C)c(Oc2ccc(C=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13NO4/c1-10-7-11(2)15(14(8-10)16(18)19)20-13-5-3-12(9-17)4-6-13/h3-9H,1-2H3
InChIKeyFFPPQCSWOBZRTP-UHFFFAOYSA-N
XLogP3.82
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.82
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

2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 2779971
2-chloro-4-(2,4-dimethyl-6-nitrophenoxy)benzonitrile
CID 62948840
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
3-(2,4-dimethyl-6-nitrophenoxy)benzoic acid
CID 63941504
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
4-[4-[4-(4-formylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrophenoxy]benzaldehyde
CID 102430144
[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
CID 62124219
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
CID 64593817
2-[4-(bromomethyl)-2-fluorophenoxy]-1,5-dimethyl-3-nitrobenzene
CID 107088286
4-(2,6-dimethylphenoxy)-3-nitrobenzaldehyde
CID 28951798
(1S)-1-[2-(2,4-dimethyl-6-nitrophenoxy)phenyl]ethanamine
CID 63370124

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde?
The IUPAC name of 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde (CID 62099520) is 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde.
What is the SMILES notation for 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde?
The canonical SMILES for 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde is Cc1cc(C)c(Oc2ccc(C=O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde?
The InChIKey is FFPPQCSWOBZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10-7-11(2)15(14(8-10)16(18)19)20-13-5-3-12(9-17)4-6-13/h3-9H,1-2H3.
What are the key properties of 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde?
4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde has a molecular weight of 271.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde is sourced from PubChem (CID 62099520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).