2-[(4-iodo-2-methylphenyl)iminomethyl]phenol

C14H12INO — CID 630747

IUPAC2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
SMILESCc1cc(I)ccc1/N=C/c1ccccc1O
InChIInChI=1S/C14H12INO/c1-10-8-12(15)6-7-13(10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyKBUZPHQWKJHXPQ-CXUHLZMHSA-N
MW337.16 g/mol
LogP4.06
Rot. Bonds2

About 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol

2-[(4-iodo-2-methylphenyl)iminomethyl]phenol (PubChem CID 630747) has the molecular formula C14H12INO and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
PubChem CID630747
Molecular FormulaC14H12INO
Molecular Weight337.16 g/mol
Exact Mass337.00
IUPAC Name2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
SMILESCc1cc(I)ccc1/N=C/c1ccccc1O
InChIInChI=1S/C14H12INO/c1-10-8-12(15)6-7-13(10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyKBUZPHQWKJHXPQ-CXUHLZMHSA-N
XLogP4.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol
CID 136862105
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 86693802
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol (CID 630747) is 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol is Cc1cc(I)ccc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol?
The InChIKey is KBUZPHQWKJHXPQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12INO/c1-10-8-12(15)6-7-13(10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol?
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol has a molecular weight of 337.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodo-2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 630747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).