4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol

C18H18Cl2N2O2 — CID 136909314

IUPAC4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCCC/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C18H18Cl2N2O2/c19-15-3-5-17(23)13(9-15)11-21-7-1-2-8-22-12-14-10-16(20)4-6-18(14)24/h3-6,9-12,23-24H,1-2,7-8H2/b21-11+,22-12+
InChIKeyAGJBXCFDMSVHSZ-XHQRYOPUSA-N
MW365.26 g/mol
LogP4.72
Rot. Bonds7

About 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol

4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol (PubChem CID 136909314) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
PubChem CID136909314
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCCC/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C18H18Cl2N2O2/c19-15-3-5-17(23)13(9-15)11-21-7-1-2-8-22-12-14-10-16(20)4-6-18(14)24/h3-6,9-12,23-24H,1-2,7-8H2/b21-11+,22-12+
InChIKeyAGJBXCFDMSVHSZ-XHQRYOPUSA-N
XLogP4.72
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-chloro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135659262
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
CID 135513787
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
4-chloro-2-[2-(2-nitroanilino)ethyliminomethyl]phenol
CID 135787773
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol (CID 136909314) is 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/CCCC/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The InChIKey is AGJBXCFDMSVHSZ-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-15-3-5-17(23)13(9-15)11-21-7-1-2-8-22-12-14-10-16(20)4-6-18(14)24/h3-6,9-12,23-24H,1-2,7-8H2/b21-11+,22-12+.
What are the key properties of 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol has a molecular weight of 365.26 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol is sourced from PubChem (CID 136909314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).