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

C17H16Cl2N2O2 — CID 135659265

IUPAC4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCC(C/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C17H16Cl2N2O2/c1-11(21-10-13-7-15(19)3-5-17(13)23)8-20-9-12-6-14(18)2-4-16(12)22/h2-7,9-11,22-23H,8H2,1H3/b20-9+,21-10+
InChIKeySABXNBVSLNUCNK-VDEHPEQNSA-N
MW351.23 g/mol
LogP4.33
Rot. Bonds5

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

4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 135659265) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID135659265
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCC(C/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C17H16Cl2N2O2/c1-11(21-10-13-7-15(19)3-5-17(13)23)8-20-9-12-6-14(18)2-4-16(12)22/h2-7,9-11,22-23H,8H2,1H3/b20-9+,21-10+
InChIKeySABXNBVSLNUCNK-VDEHPEQNSA-N
XLogP4.33
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
Fengabine
CID 54471
4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol
CID 2304556
2-[[(2-Chlorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274036
Cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135974350
2,4-Dichloro-6-[[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]cyclohexyl]methyliminomethyl]phenol
CID 285493
(Z)-2,3-bis[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]but-2-enedinitrile
CID 2803625
2-[3-[(2-Hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 219305
N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,3-propylenediamine
CID 258807
n,n'-Bis(5-chlorosalicylidene)ethylenediamine
CID 375851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 135659265) is 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is CC(C/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is SABXNBVSLNUCNK-VDEHPEQNSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(21-10-13-7-15(19)3-5-17(13)23)8-20-9-12-6-14(18)2-4-16(12)22/h2-7,9-11,22-23H,8H2,1H3/b20-9+,21-10+.
What are the key properties of 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 351.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 135659265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).