4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol

C15H14ClNO — CID 135648337

IUPAC4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(C)c(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO/c1-10-3-4-11(2)14(7-10)17-9-12-8-13(16)5-6-15(12)18/h3-9,18H,1-2H3/b17-9+
InChIKeyBWAQNXWUAFXKDP-RQZCQDPDSA-N
MW259.74 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol

4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol (PubChem CID 135648337) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
PubChem CID135648337
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(C)c(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO/c1-10-3-4-11(2)14(7-10)17-9-12-8-13(16)5-6-15(12)18/h3-9,18H,1-2H3/b17-9+
InChIKeyBWAQNXWUAFXKDP-RQZCQDPDSA-N
XLogP4.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779811
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
4-chloro-2-[(3-fluoro-2-methylphenyl)iminomethyl]phenol
CID 135657382
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
CID 139204499
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol (CID 135648337) is 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol is Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2O)c1.
What is the InChIKey of 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol?
The InChIKey is BWAQNXWUAFXKDP-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-3-4-11(2)14(7-10)17-9-12-8-13(16)5-6-15(12)18/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol?
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol has a molecular weight of 259.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).