7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde

C15H11NO4 — CID 15715327

IUPAC7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde
SMILESCOc1ccc2c([nH]c3cc(O)c(C=O)cc32)c1C=O
InChIInChI=1S/C15H11NO4/c1-20-14-3-2-9-10-4-8(6-17)13(19)5-12(10)16-15(9)11(14)7-18/h2-7,16,19H,1H3
InChIKeyVPSFJNOVIVVIKA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.66
Rot. Bonds3

About 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde

7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde (PubChem CID 15715327) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde
PubChem CID15715327
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde
SMILESCOc1ccc2c([nH]c3cc(O)c(C=O)cc32)c1C=O
InChIInChI=1S/C15H11NO4/c1-20-14-3-2-9-10-4-8(6-17)13(19)5-12(10)16-15(9)11(14)7-18/h2-7,16,19H,1H3
InChIKeyVPSFJNOVIVVIKA-UHFFFAOYSA-N
XLogP2.66
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde?
The IUPAC name of 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde (CID 15715327) is 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde.
What is the SMILES notation for 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde?
The canonical SMILES for 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde is COc1ccc2c([nH]c3cc(O)c(C=O)cc32)c1C=O.
What is the InChIKey of 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde?
The InChIKey is VPSFJNOVIVVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-20-14-3-2-9-10-4-8(6-17)13(19)5-12(10)16-15(9)11(14)7-18/h2-7,16,19H,1H3.
What are the key properties of 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde?
7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde has a molecular weight of 269.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde is sourced from PubChem (CID 15715327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).