5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde

C14H10ClNO5 — CID 18614284

IUPAC5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde
SMILESCc1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(O)c(C=O)c1
InChIInChI=1S/C14H10ClNO5/c1-8-4-10(16(19)20)6-12(15)14(8)21-11-2-3-13(18)9(5-11)7-17/h2-7,18H,1H3
InChIKeyANCYAGRPEFRRCH-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.87
Rot. Bonds4

About 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde

5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde (PubChem CID 18614284) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde
PubChem CID18614284
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde
SMILESCc1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(O)c(C=O)c1
InChIInChI=1S/C14H10ClNO5/c1-8-4-10(16(19)20)6-12(15)14(8)21-11-2-3-13(18)9(5-11)7-17/h2-7,18H,1H3
InChIKeyANCYAGRPEFRRCH-UHFFFAOYSA-N
XLogP3.87
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]benzaldehyde
CID 23031104
5-(2,6-dichloro-4-nitrophenoxy)-2-methoxybenzenesulfinic acid
CID 22344879
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
CID 145483773
2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
CID 152649454
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
2-(4-bromophenoxy)-3-chloro-5-nitrobenzoic acid
CID 107186650
2-chloro-3-methyl-5-nitrophenol
CID 119016327
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
4-[4-(4-hydroxy-3-nitrophenoxy)-2,3,5-trimethylphenoxy]-2-nitrophenol
CID 139938756
3-[3-[[5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxyphenyl]methyl]phenyl]prop-2-enoic acid
CID 139998737

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde (CID 18614284) is 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde is Cc1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(O)c(C=O)c1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde?
The InChIKey is ANCYAGRPEFRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c1-8-4-10(16(19)20)6-12(15)14(8)21-11-2-3-13(18)9(5-11)7-17/h2-7,18H,1H3.
What are the key properties of 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde?
5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde has a molecular weight of 307.69 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-nitrophenoxy)-2-hydroxybenzaldehyde is sourced from PubChem (CID 18614284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).