2-[(4-chloro-3-methylphenyl)iminomethyl]phenol

C14H12ClNO — CID 135657353

IUPAC2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
SMILESCc1cc(/N=C/c2ccccc2O)ccc1Cl
InChIInChI=1S/C14H12ClNO/c1-10-8-12(6-7-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyNEIFGPYIVUHZGZ-CXUHLZMHSA-N
MW245.71 g/mol
LogP4.10
Rot. Bonds2

About 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol

2-[(4-chloro-3-methylphenyl)iminomethyl]phenol (PubChem CID 135657353) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
PubChem CID135657353
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
SMILESCc1cc(/N=C/c2ccccc2O)ccc1Cl
InChIInChI=1S/C14H12ClNO/c1-10-8-12(6-7-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyNEIFGPYIVUHZGZ-CXUHLZMHSA-N
XLogP4.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.10
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-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[6-[(2-hydroxyphenyl)methylideneamino]-9H-carbazol-3-yl]iminomethyl]phenol
CID 136828590
2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
CID 671061
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]phenol
CID 3674145
2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 135690830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol (CID 135657353) is 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol is Cc1cc(/N=C/c2ccccc2O)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol?
The InChIKey is NEIFGPYIVUHZGZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-8-12(6-7-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol?
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol has a molecular weight of 245.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135657353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).