2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol

C14H12ClNO2 — CID 3559329

IUPAC2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cccc(Cl)c2)c1O
InChIInChI=1S/C14H12ClNO2/c1-18-13-7-2-4-10(14(13)17)9-16-12-6-3-5-11(15)8-12/h2-9,17H,1H3/b16-9+
InChIKeyHJIVIDAUWQSCBR-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.80
Rot. Bonds3

About 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol

2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 3559329) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol
PubChem CID3559329
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2cccc(Cl)c2)c1O
InChIInChI=1S/C14H12ClNO2/c1-18-13-7-2-4-10(14(13)17)9-16-12-6-3-5-11(15)8-12/h2-9,17H,1H3/b16-9+
InChIKeyHJIVIDAUWQSCBR-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol (CID 3559329) is 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/c2cccc(Cl)c2)c1O.
What is the InChIKey of 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is HJIVIDAUWQSCBR-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-13-7-2-4-10(14(13)17)9-16-12-6-3-5-11(15)8-12/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol?
2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenol 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-chlorophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 3559329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).