2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol

C18H13Cl2NO2 — CID 7209690

IUPAC2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-6-16(17(22)8-11)21-10-13-4-7-18(23-13)12-3-5-14(19)15(20)9-12/h2-10,22H,1H3/b21-10+
InChIKeyLYMBFJVGAIZAGM-UFFVCSGVSA-N
MW346.21 g/mol
LogP6.02
Rot. Bonds3

About 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol

2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol (PubChem CID 7209690) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
PubChem CID7209690
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1
InChIInChI=1S/C18H13Cl2NO2/c1-11-2-6-16(17(22)8-11)21-10-13-4-7-18(23-13)12-3-5-14(19)15(20)9-12/h2-10,22H,1H3/b21-10+
InChIKeyLYMBFJVGAIZAGM-UFFVCSGVSA-N
XLogP6.02
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 171979302
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 171981355
5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
CID 70655963
(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
CID 126253258
1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone
CID 50884941
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
CID 11579513
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800300

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol?
The IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol (CID 7209690) is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol?
The canonical SMILES for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol is Cc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1.
What is the InChIKey of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol?
The InChIKey is LYMBFJVGAIZAGM-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-2-6-16(17(22)8-11)21-10-13-4-7-18(23-13)12-3-5-14(19)15(20)9-12/h2-10,22H,1H3/b21-10+.
What are the key properties of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol?
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol has a molecular weight of 346.21 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol is sourced from PubChem (CID 7209690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).