4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid

C14H9Cl2NO3 — CID 11162667

IUPAC4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
SMILESO=C(O)c1ccc(O/N=C/c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-11-5-9(6-12(16)7-11)8-17-20-13-3-1-10(2-4-13)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyNAZNIEFAIBRPMP-CAOOACKPSA-N
MW310.14 g/mol
LogP4.10
Rot. Bonds4

About 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid

4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid (PubChem CID 11162667) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid.

Molecular Properties

Compound Name4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
PubChem CID11162667
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
SMILESO=C(O)c1ccc(O/N=C/c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-11-5-9(6-12(16)7-11)8-17-20-13-3-1-10(2-4-13)14(18)19/h1-8H,(H,18,19)/b17-8+
InChIKeyNAZNIEFAIBRPMP-CAOOACKPSA-N
XLogP4.10
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]oxybenzoic acid
CID 91228121
4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11174345
4-(3,5-dichlorobenzoyl)oxybenzoic acid
CID 54854175
4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 59021908
3-[(E)-benzylideneamino]oxybenzoic acid
CID 11333939
(Z)-1-(4-chlorophenyl)-N-phenoxymethanimine
CID 5368892
4-chloro(13C)benzoic acid
CID 66995527
(Z)-1-(3,5-dichlorophenyl)-N-methoxymethanimine
CID 88631268
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid?
The IUPAC name of 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid (CID 11162667) is 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid.
What is the SMILES notation for 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid?
The canonical SMILES for 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid is O=C(O)c1ccc(O/N=C/c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid?
The InChIKey is NAZNIEFAIBRPMP-CAOOACKPSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-11-5-9(6-12(16)7-11)8-17-20-13-3-1-10(2-4-13)14(18)19/h1-8H,(H,18,19)/b17-8+.
What are the key properties of 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid?
4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid has a molecular weight of 310.14 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid is sourced from PubChem (CID 11162667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).