3-[(5-chloro-2-methylphenyl)iminomethyl]phenol

C14H12ClNO — CID 126216051

IUPAC3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(Cl)cc1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H12ClNO/c1-10-5-6-12(15)8-14(10)16-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b16-9+
InChIKeyHUWJUIOPFZMPEL-CXUHLZMHSA-N
MW245.71 g/mol
LogP4.10
Rot. Bonds2

About 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol

3-[(5-chloro-2-methylphenyl)iminomethyl]phenol (PubChem CID 126216051) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
PubChem CID126216051
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(Cl)cc1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H12ClNO/c1-10-5-6-12(15)8-14(10)16-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b16-9+
InChIKeyHUWJUIOPFZMPEL-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

N-(5-chloro-2-methylphenyl)-1-[4-[(5-chloro-2-methylphenyl)iminomethyl]phenyl]methanimine
CID 3304747
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126219727
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23766024
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
N-(5-chloro-2-methylphenyl)-1-(1-methylpyrrol-3-yl)methanimine
CID 50854031
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
CID 5083065
4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
CID 21210007
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281
4-[[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126218388

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol (CID 126216051) is 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol is Cc1ccc(Cl)cc1/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?
The InChIKey is HUWJUIOPFZMPEL-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-5-6-12(15)8-14(10)16-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b16-9+.
What are the key properties of 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol?
3-[(5-chloro-2-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 3-[(5-chloro-2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 126216051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).