5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde

C19H16N2O2 — CID 169333516

IUPAC5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde
SMILESCc1ccc(/N=N/c2cc(C)ccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C19H16N2O2/c1-13-3-6-15(7-4-13)20-21-18-11-14(2)5-9-17(18)19-10-8-16(12-22)23-19/h3-12H,1-2H3/b21-20+
InChIKeyDUUJEKBJZQPVRF-QZQOTICOSA-N
MW304.35 g/mol
LogP5.79
Rot. Bonds4

About 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde

5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde (PubChem CID 169333516) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde
PubChem CID169333516
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde
SMILESCc1ccc(/N=N/c2cc(C)ccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C19H16N2O2/c1-13-3-6-15(7-4-13)20-21-18-11-14(2)5-9-17(18)19-10-8-16(12-22)23-19/h3-12H,1-2H3/b21-20+
InChIKeyDUUJEKBJZQPVRF-QZQOTICOSA-N
XLogP5.79
TPSA54.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169332115
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
bis(4-methylphenyl)diazene
CID 10389

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde (CID 169333516) is 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde is Cc1ccc(/N=N/c2cc(C)ccc2-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde?
The InChIKey is DUUJEKBJZQPVRF-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-3-6-15(7-4-13)20-21-18-11-14(2)5-9-17(18)19-10-8-16(12-22)23-19/h3-12H,1-2H3/b21-20+.
What are the key properties of 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde?
5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde has a molecular weight of 304.35 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).