1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone

C19H14ClNO3 — CID 50884941

IUPAC1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3O)o2)cc1
InChIInChI=1S/C19H14ClNO3/c1-12(22)13-2-4-14(5-3-13)19-9-7-16(24-19)11-21-17-10-15(20)6-8-18(17)23/h2-11,23H,1H3/b21-11+
InChIKeyQJRDNWWWFIMKAW-SRZZPIQSSA-N
MW339.78 g/mol
LogP5.26
Rot. Bonds4

About 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone

1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone (PubChem CID 50884941) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone
PubChem CID50884941
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3O)o2)cc1
InChIInChI=1S/C19H14ClNO3/c1-12(22)13-2-4-14(5-3-13)19-9-7-16(24-19)11-21-17-10-15(20)6-8-18(17)23/h2-11,23H,1H3/b21-11+
InChIKeyQJRDNWWWFIMKAW-SRZZPIQSSA-N
XLogP5.26
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.78
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]phenyl]ethanone
CID 50884928
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 171981355
3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
CID 7209690
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704
(6R)-2-[[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-6-tert-butyl-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126097793
(6S)-2-[[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 126094379
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
CID 50885342

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone (CID 50884941) is 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3O)o2)cc1.
What is the InChIKey of 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone?
The InChIKey is QJRDNWWWFIMKAW-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12(22)13-2-4-14(5-3-13)19-9-7-16(24-19)11-21-17-10-15(20)6-8-18(17)23/h2-11,23H,1H3/b21-11+.
What are the key properties of 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone?
1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone has a molecular weight of 339.78 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(5-chloro-2-hydroxyphenyl)iminomethyl]furan-2-yl]phenyl]ethanone is sourced from PubChem (CID 50884941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).