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

C14H12ClNO2 — CID 964874

IUPAC2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2ccccc2O)cc1Cl
InChIInChI=1S/C14H12ClNO2/c1-18-14-7-6-11(8-12(14)15)16-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b16-9+
InChIKeyXEEGVWCBNUYBFT-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.80
Rot. Bonds3

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

2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol (PubChem CID 964874) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
PubChem CID964874
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2ccccc2O)cc1Cl
InChIInChI=1S/C14H12ClNO2/c1-18-14-7-6-11(8-12(14)15)16-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b16-9+
InChIKeyXEEGVWCBNUYBFT-CXUHLZMHSA-N
XLogP3.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine
CID 5106503
2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 135690830
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135595594
2-bromo-4-chloro-6-[(3-chloro-4-methoxyphenyl)iminomethyl]-3,5-dimethylphenol
CID 3277239
5-[(2-hydroxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 135690835
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol (CID 964874) is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol is COc1ccc(/N=C/c2ccccc2O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The InChIKey is XEEGVWCBNUYBFT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-14-7-6-11(8-12(14)15)16-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol has a molecular weight of 261.71 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 964874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).