4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol

C14H11Cl2NO2 — CID 154672867

IUPAC4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol
SMILESCc1cc(-c2cc(Cl)c(/C=N/O)c(Cl)c2)ccc1O
InChIInChI=1S/C14H11Cl2NO2/c1-8-4-9(2-3-14(8)18)10-5-12(15)11(7-17-19)13(16)6-10/h2-7,18-19H,1H3/b17-7+
InChIKeyDHESLBXJSFHRDT-REZTVBANSA-N
MW296.15 g/mol
LogP4.48
Rot. Bonds2

About 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol

4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol (PubChem CID 154672867) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol
PubChem CID154672867
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol
SMILESCc1cc(-c2cc(Cl)c(/C=N/O)c(Cl)c2)ccc1O
InChIInChI=1S/C14H11Cl2NO2/c1-8-4-9(2-3-14(8)18)10-5-12(15)11(7-17-19)13(16)6-10/h2-7,18-19H,1H3/b17-7+
InChIKeyDHESLBXJSFHRDT-REZTVBANSA-N
XLogP4.48
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
4-(3-chloro-5-methylphenyl)-2-methylphenol
CID 53218974
(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
CID 139053635
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
2-chloro-4-(4-methoxy-3-methylphenyl)phenol
CID 53221309
4-(3-chloroselenophen-2-yl)-2-methylphenol
CID 175473113
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
4-(4-chloro-3-methylphenyl)-2-fluorophenol
CID 53219486
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol?
The IUPAC name of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol (CID 154672867) is 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol.
What is the SMILES notation for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol?
The canonical SMILES for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol is Cc1cc(-c2cc(Cl)c(/C=N/O)c(Cl)c2)ccc1O.
What is the InChIKey of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol?
The InChIKey is DHESLBXJSFHRDT-REZTVBANSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-4-9(2-3-14(8)18)10-5-12(15)11(7-17-19)13(16)6-10/h2-7,18-19H,1H3/b17-7+.
What are the key properties of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol?
4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol has a molecular weight of 296.15 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-methylphenol is sourced from PubChem (CID 154672867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).